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Azoles

Organic compounds that consist of five-membered heterocyclic molecules containing a nitrogen atom and at least one other non-carbon atom as part of the ring.
Imidazoles (2,974)
Thiazoles (2,022)
Pyrazoles (1,494)
Triazoles (582)
Oxazoles (551)
Oxadiazoles (242)
Isoxazoles (232)
Thiadiazoles (71)
Dithiazoles (4)

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271 – 285 of 6,948 results
271

Ganciclovir, 98%, Thermo Scientific Chemicals

CAS: 82410-32-0 Molecular Formula: C9H13N5O4 Molecular Weight (g/mol): 255.23 InChI Key: IRSCQMHQWWYFCW-UHFFFAOYSA-N Synonym: ganciclovir,gancyclovir,cytovene,vitrasert,hydroxyacyclovir,ganciclovirum,zirgan,ganciclovir sodium,cymevene,hhemg PubChem CID: 3454 ChEBI: CHEBI:465284 IUPAC Name: 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one SMILES: C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N

PubChem CID 3454
CAS 82410-32-0
Molecular Weight (g/mol) 255.23
ChEBI CHEBI:465284
SMILES C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N
Synonym ganciclovir,gancyclovir,cytovene,vitrasert,hydroxyacyclovir,ganciclovirum,zirgan,ganciclovir sodium,cymevene,hhemg
IUPAC Name 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one
InChI Key IRSCQMHQWWYFCW-UHFFFAOYSA-N
Molecular Formula C9H13N5O4
272

Thermo Scientific Chemicals Tinidazole

CAS: 19387-91-8 Molecular Formula: C8H13N3O4S Molecular Weight (g/mol): 247.27 MDL Number: MFCD00057217 InChI Key: HJLSLZFTEKNLFI-UHFFFAOYSA-N IUPAC Name: 1-[2-(ethanesulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole SMILES: CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O

CAS 19387-91-8
Molecular Weight (g/mol) 247.27
MDL Number MFCD00057217
SMILES CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O
IUPAC Name 1-[2-(ethanesulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole
InChI Key HJLSLZFTEKNLFI-UHFFFAOYSA-N
Molecular Formula C8H13N3O4S
273

[4-(1H-Imidazol-1-yl)phenyl]methanol, 97%, Thermo Scientific™

CAS: 86718-08-3 Molecular Formula: C10H10N2O Molecular Weight (g/mol): 174.203 MDL Number: MFCD02682059 InChI Key: SRQXVPAXMMIUFH-UHFFFAOYSA-N Synonym: 4-1h-imidazol-1-yl phenyl methanol,4-imidazol-1-yl-phenyl methanol,4-1-imidazolyl phenyl methanol,4-imidazol-1-ylphenyl methanol,4-1-imidazolyl benzyl alcohol,4-imidazol-1-yl phenyl methanol,benzenemethanol, 4-1h-imidazol-1-yl,acmc-209qb5,4-imidazolylphenyl methan-1-ol PubChem CID: 2776486 IUPAC Name: (4-imidazol-1-ylphenyl)methanol SMILES: C1=CC(=CC=C1CO)N2C=CN=C2

PubChem CID 2776486
CAS 86718-08-3
Molecular Weight (g/mol) 174.203
MDL Number MFCD02682059
SMILES C1=CC(=CC=C1CO)N2C=CN=C2
Synonym 4-1h-imidazol-1-yl phenyl methanol,4-imidazol-1-yl-phenyl methanol,4-1-imidazolyl phenyl methanol,4-imidazol-1-ylphenyl methanol,4-1-imidazolyl benzyl alcohol,4-imidazol-1-yl phenyl methanol,benzenemethanol, 4-1h-imidazol-1-yl,acmc-209qb5,4-imidazolylphenyl methan-1-ol
IUPAC Name (4-imidazol-1-ylphenyl)methanol
InChI Key SRQXVPAXMMIUFH-UHFFFAOYSA-N
Molecular Formula C10H10N2O
274

1-n-Butyl-3-methylimidazolium trifluoromethanesulfonate, 98%

CAS: 174899-66-2 Molecular Formula: C9H15F3N2O3S Molecular Weight (g/mol): 288.285 MDL Number: MFCD03427620 InChI Key: FRZPYEHDSAQGAS-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium trifluoromethanesulfonate,1-butyl-3-methylimidazolium trifluoromethansulfonate,1-butyl-3-methylimidazolium triflate,c4mim triflate,bmim otf,acmc-1bwln,basionics™ vs 12,dsstox_cid_29088,dsstox_rid_83307,dsstox_gsid_49232 PubChem CID: 2734246 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;trifluoromethanesulfonate SMILES: CCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]

PubChem CID 2734246
CAS 174899-66-2
Molecular Weight (g/mol) 288.285
MDL Number MFCD03427620
SMILES CCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]
Synonym 1-butyl-3-methylimidazolium trifluoromethanesulfonate,1-butyl-3-methylimidazolium trifluoromethansulfonate,1-butyl-3-methylimidazolium triflate,c4mim triflate,bmim otf,acmc-1bwln,basionics™ vs 12,dsstox_cid_29088,dsstox_rid_83307,dsstox_gsid_49232
IUPAC Name 1-butyl-3-methylimidazol-3-ium;trifluoromethanesulfonate
InChI Key FRZPYEHDSAQGAS-UHFFFAOYSA-M
Molecular Formula C9H15F3N2O3S
275

4-(1H-Imidazol-1-ylmethyl)benzonitrile, ≥97%, Thermo Scientific™

CAS: 112809-54-8 Molecular Formula: C11H9N3 Molecular Weight (g/mol): 183.214 MDL Number: MFCD08060525 InChI Key: LUSFCTSUDCCYLQ-UHFFFAOYSA-N Synonym: 4-1h-imidazol-1-ylmethyl benzonitrile,4-imidazol-1-ylmethyl benzonitrile,1-4-cyanobenzyl imidazole,4-1h-imidazol-1-yl methyl benzonitrile,1-4-cyanobenzyl-1h-imidazole,4-imidazol-1-ylmethyl-benzonitrile,4-1-imidazolylmethyl-benzonitrile,benzonitrile,4-1h-imidazol-1-ylmethyl,acmc-1cab3 PubChem CID: 1236449 IUPAC Name: 4-(imidazol-1-ylmethyl)benzonitrile SMILES: C1=CC(=CC=C1CN2C=CN=C2)C#N

PubChem CID 1236449
CAS 112809-54-8
Molecular Weight (g/mol) 183.214
MDL Number MFCD08060525
SMILES C1=CC(=CC=C1CN2C=CN=C2)C#N
Synonym 4-1h-imidazol-1-ylmethyl benzonitrile,4-imidazol-1-ylmethyl benzonitrile,1-4-cyanobenzyl imidazole,4-1h-imidazol-1-yl methyl benzonitrile,1-4-cyanobenzyl-1h-imidazole,4-imidazol-1-ylmethyl-benzonitrile,4-1-imidazolylmethyl-benzonitrile,benzonitrile,4-1h-imidazol-1-ylmethyl,acmc-1cab3
IUPAC Name 4-(imidazol-1-ylmethyl)benzonitrile
InChI Key LUSFCTSUDCCYLQ-UHFFFAOYSA-N
Molecular Formula C11H9N3
276

1-(4-Methoxyphenyl)imidazole, 98%

CAS: 10040-95-6 Molecular Formula: C10H10N2O Molecular Weight (g/mol): 174.203 MDL Number: MFCD00060492 InChI Key: XNLOIFUGGCCEQX-UHFFFAOYSA-N PubChem CID: 82328 IUPAC Name: 1-(4-methoxyphenyl)imidazole SMILES: COC1=CC=C(C=C1)N2C=CN=C2

PubChem CID 82328
CAS 10040-95-6
Molecular Weight (g/mol) 174.203
MDL Number MFCD00060492
SMILES COC1=CC=C(C=C1)N2C=CN=C2
IUPAC Name 1-(4-methoxyphenyl)imidazole
InChI Key XNLOIFUGGCCEQX-UHFFFAOYSA-N
Molecular Formula C10H10N2O
277

4-Aminoimidazole-5-carboxamide, 95%

CAS: 360-97-4 Molecular Formula: C4H6N4O Molecular Weight (g/mol): 126.12 MDL Number: MFCD02181040 InChI Key: DVNYTAVYBRSTGK-UHFFFAOYSA-N Synonym: 5-aminoimidazole-4-carboxamide,5-amino-1h-imidazole-4-carboxamide,4-amino-5-imidazolecarboxamide,5-amino-4-imidazolecarboxamide,colahepat,4-aminoimidazole-5-carboxamide,aica,1h-imidazole-4-carboxamide, 5-amino,diazol-c,4-carbamoyl-5-aminoimidazole PubChem CID: 9679 ChEBI: CHEBI:2030 IUPAC Name: 4-amino-1H-imidazole-5-carboxamide SMILES: NC(=O)C1=C(N)N=CN1

PubChem CID 9679
CAS 360-97-4
Molecular Weight (g/mol) 126.12
ChEBI CHEBI:2030
MDL Number MFCD02181040
SMILES NC(=O)C1=C(N)N=CN1
Synonym 5-aminoimidazole-4-carboxamide,5-amino-1h-imidazole-4-carboxamide,4-amino-5-imidazolecarboxamide,5-amino-4-imidazolecarboxamide,colahepat,4-aminoimidazole-5-carboxamide,aica,1h-imidazole-4-carboxamide, 5-amino,diazol-c,4-carbamoyl-5-aminoimidazole
IUPAC Name 4-amino-1H-imidazole-5-carboxamide
InChI Key DVNYTAVYBRSTGK-UHFFFAOYSA-N
Molecular Formula C4H6N4O
278

2-Bromo-1-methylbenzimidazole, 97%

CAS: 49572-60-3 Molecular Formula: C8H7BrN2 Molecular Weight (g/mol): 211.06 MDL Number: MFCD00839528 InChI Key: PROLKELCEPYEQT-UHFFFAOYSA-N Synonym: 2-bromo-1-methyl-1h-benzo d imidazole,2-bromo-1-methyl-1h-benzoimidazole,1h-benzimidazole, 2-bromo-1-methyl,2-bromo-1-methyl-1h-benzimidazole,2-bromo-1-methyl-1,3-benzodiazole,1-methyl-2-bromo-1h-benzimidazole,2-bromo-1-methyl-1h-1,3-benzodiazole PubChem CID: 797082 SMILES: CN1C(Br)=NC2=CC=CC=C12

PubChem CID 797082
CAS 49572-60-3
Molecular Weight (g/mol) 211.06
MDL Number MFCD00839528
SMILES CN1C(Br)=NC2=CC=CC=C12
Synonym 2-bromo-1-methyl-1h-benzo d imidazole,2-bromo-1-methyl-1h-benzoimidazole,1h-benzimidazole, 2-bromo-1-methyl,2-bromo-1-methyl-1h-benzimidazole,2-bromo-1-methyl-1,3-benzodiazole,1-methyl-2-bromo-1h-benzimidazole,2-bromo-1-methyl-1h-1,3-benzodiazole
InChI Key PROLKELCEPYEQT-UHFFFAOYSA-N
Molecular Formula C8H7BrN2
279

1,3-Bis(2,4,6-trimethylphenyl)imidazolium chloride, 95%

CAS: 141556-45-8 Molecular Formula: C21H25ClN2 Molecular Weight (g/mol): 340.90 MDL Number: MFCD02684541 InChI Key: OTOSIXGMLYKKOW-UHFFFAOYSA-M Synonym: 1,3-bis 2,4,6-trimethylphenyl imidazolium chloride,1,3-dimesityl-1h-imidazol-3-ium chloride,1,3-dimesitylimidazolium chloride,1,3-bis mesityl imidazolium chloride,imes.hcl,1,3-bis 2,4,6-trimethylphenyl imidazoliumchloride,1,3-2,4,6-trimethylphenyl imidazolium chloride,1,3-bis-2,4,6-trimethylphenyl-1h-imidazolium chloride,1,3-bis-2,4,6-trimethyl-phenyl-3h-imidazol-1-ium chloride,1,3-dihydro-1,3-dimesityl-2h-imidazol-2-ylidene monohydrochloride PubChem CID: 2734211 IUPAC Name: 1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium;chloride SMILES: [Cl-].CC1=CC(C)=C(N2C=C[N+](=C2)C2=C(C)C=C(C)C=C2C)C(C)=C1

PubChem CID 2734211
CAS 141556-45-8
Molecular Weight (g/mol) 340.90
MDL Number MFCD02684541
SMILES [Cl-].CC1=CC(C)=C(N2C=C[N+](=C2)C2=C(C)C=C(C)C=C2C)C(C)=C1
Synonym 1,3-bis 2,4,6-trimethylphenyl imidazolium chloride,1,3-dimesityl-1h-imidazol-3-ium chloride,1,3-dimesitylimidazolium chloride,1,3-bis mesityl imidazolium chloride,imes.hcl,1,3-bis 2,4,6-trimethylphenyl imidazoliumchloride,1,3-2,4,6-trimethylphenyl imidazolium chloride,1,3-bis-2,4,6-trimethylphenyl-1h-imidazolium chloride,1,3-bis-2,4,6-trimethyl-phenyl-3h-imidazol-1-ium chloride,1,3-dihydro-1,3-dimesityl-2h-imidazol-2-ylidene monohydrochloride
IUPAC Name 1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium;chloride
InChI Key OTOSIXGMLYKKOW-UHFFFAOYSA-M
Molecular Formula C21H25ClN2
280

1,3-Dicyclohexylbenzimidazolium chloride, 95%

CAS: 1034449-15-4 Molecular Formula: C19H27ClN2 Molecular Weight (g/mol): 318.89 MDL Number: MFCD08705248 InChI Key: JACUDTKAZHCIPU-UHFFFAOYSA-M Synonym: 1,3-dicyclohexylbenzimidazolium chloride,1,3-dicyclohexyl-1??,3-benzodiazol-1-ylium chloride,1,3-dicyclohexyl-1h-benzimidazol-3-ium chloride,1,3-dicyclohexyl-1h-benzo d imidazol-3-ium chloride,1,3-dicyclohexyl-2h-1,3-benzodiazol-2-ylium chloride PubChem CID: 16218267 SMILES: [Cl-].C1CCC(CC1)N1C=[N+](C2CCCCC2)C2=CC=CC=C12

PubChem CID 16218267
CAS 1034449-15-4
Molecular Weight (g/mol) 318.89
MDL Number MFCD08705248
SMILES [Cl-].C1CCC(CC1)N1C=[N+](C2CCCCC2)C2=CC=CC=C12
Synonym 1,3-dicyclohexylbenzimidazolium chloride,1,3-dicyclohexyl-1??,3-benzodiazol-1-ylium chloride,1,3-dicyclohexyl-1h-benzimidazol-3-ium chloride,1,3-dicyclohexyl-1h-benzo d imidazol-3-ium chloride,1,3-dicyclohexyl-2h-1,3-benzodiazol-2-ylium chloride
InChI Key JACUDTKAZHCIPU-UHFFFAOYSA-M
Molecular Formula C19H27ClN2
281

1-Butyl-3-methylimidazolium tetrafluoroborate, 98+%

CAS: 174501-65-6 Molecular Formula: C8H15BF4N2 Molecular Weight (g/mol): 226.03 MDL Number: MFCD03095449 InChI Key: LSBXQLQATZTAPE-UHFFFAOYSA-N Synonym: 1-butyl-3-methylimidazolium tetrafluoroborate,1-n-butyl-3-methylimidazolium tetrafluoroborate,3-butyl-1-methyl-1h-imidazol-3-ium tetrafluoroborate,unii-t2tvz2306t,bmimbf4,butylmethylimidazolium tetrafluoroborate,1-butyl-3-methylimidazolium terafluoroborate,1-methyl-3-butylimidazolium tetrafluoroborate,c4mim tetrafluoroborate,1-butyl-3-methyl-1h-imidazol-3-ium tetrafluoroborate PubChem CID: 2734178 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;tetrafluoroborate SMILES: F[B-](F)(F)F.CCCCN1C=C[N+](C)=C1

PubChem CID 2734178
CAS 174501-65-6
Molecular Weight (g/mol) 226.03
MDL Number MFCD03095449
SMILES F[B-](F)(F)F.CCCCN1C=C[N+](C)=C1
Synonym 1-butyl-3-methylimidazolium tetrafluoroborate,1-n-butyl-3-methylimidazolium tetrafluoroborate,3-butyl-1-methyl-1h-imidazol-3-ium tetrafluoroborate,unii-t2tvz2306t,bmimbf4,butylmethylimidazolium tetrafluoroborate,1-butyl-3-methylimidazolium terafluoroborate,1-methyl-3-butylimidazolium tetrafluoroborate,c4mim tetrafluoroborate,1-butyl-3-methyl-1h-imidazol-3-ium tetrafluoroborate
IUPAC Name 1-butyl-3-methylimidazol-3-ium;tetrafluoroborate
InChI Key LSBXQLQATZTAPE-UHFFFAOYSA-N
Molecular Formula C8H15BF4N2
282

1-Ethyl-3-methylimidazolium chloride, 97%

CAS: 65039-09-0 Molecular Formula: C6H11ClN2 Molecular Weight (g/mol): 146.62 MDL Number: MFCD00074843 InChI Key: BMQZYMYBQZGEEY-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium chloride,1-ethyl-3-methyl-1h-imidazol-3-ium chloride,emim cl,unii-ph90aq1e93,1-ethyl-3-methylimidazoliumchloride,1-methyl-3-ethylimidazolium chloride,1-ethyl-3-methylimidazol-3-ium chloride,emim-cl,basionics™ st 80,dsstox_cid_21180 PubChem CID: 2734160 ChEBI: CHEBI:61327 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;chloride SMILES: [Cl-].CCN1C=C[N+](C)=C1

PubChem CID 2734160
CAS 65039-09-0
Molecular Weight (g/mol) 146.62
ChEBI CHEBI:61327
MDL Number MFCD00074843
SMILES [Cl-].CCN1C=C[N+](C)=C1
Synonym 1-ethyl-3-methylimidazolium chloride,1-ethyl-3-methyl-1h-imidazol-3-ium chloride,emim cl,unii-ph90aq1e93,1-ethyl-3-methylimidazoliumchloride,1-methyl-3-ethylimidazolium chloride,1-ethyl-3-methylimidazol-3-ium chloride,emim-cl,basionics™ st 80,dsstox_cid_21180
IUPAC Name 1-ethyl-3-methylimidazol-3-ium;chloride
InChI Key BMQZYMYBQZGEEY-UHFFFAOYSA-M
Molecular Formula C6H11ClN2
283

4,5-Dimethylthiazole, 98%

CAS: 3581-91-7 Molecular Formula: C5H7NS Molecular Weight (g/mol): 113.178 MDL Number: MFCD00005336 InChI Key: UWSONZCNXUSTKW-UHFFFAOYSA-N Synonym: 4,5-dimethylthiazole,thiazole, 4,5-dimethyl,4,5-dimethyl thiazole,4,5-dimethyl-thiazole,unii-u3rp5i088g,fema no. 3274,pubchem9938,acmc-209ijb,dimethylthiazole, 4,5,4-27-00-00986 beilstein handbook reference PubChem CID: 62510 IUPAC Name: 4,5-dimethyl-1,3-thiazole SMILES: CC1=C(SC=N1)C

PubChem CID 62510
CAS 3581-91-7
Molecular Weight (g/mol) 113.178
MDL Number MFCD00005336
SMILES CC1=C(SC=N1)C
Synonym 4,5-dimethylthiazole,thiazole, 4,5-dimethyl,4,5-dimethyl thiazole,4,5-dimethyl-thiazole,unii-u3rp5i088g,fema no. 3274,pubchem9938,acmc-209ijb,dimethylthiazole, 4,5,4-27-00-00986 beilstein handbook reference
IUPAC Name 4,5-dimethyl-1,3-thiazole
InChI Key UWSONZCNXUSTKW-UHFFFAOYSA-N
Molecular Formula C5H7NS
284

4-Methyl-2-pyrid-3-yl-1,3-thiazole-5-carbaldehyde, 97%, Thermo Scientific™

CAS: 958443-39-5 Molecular Formula: C10H8N2OS Molecular Weight (g/mol): 204.247 MDL Number: MFCD12198119 InChI Key: KHHZRQVJLBGSNM-UHFFFAOYSA-N Synonym: 4-methyl-2-pyridin-3-yl thiazole-5-carbaldehyde,4-methyl-2-pyrid-3-yl-1,3-thiazole-5-carbaldehyde,4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbaldehyde,4-methyl-2-pyridin-3-yl-thiazole-5-carbaldehyde,4-methyl-2-3-pyridyl-1,3-thiazole-5-carbaldehyde PubChem CID: 43811058 IUPAC Name: 4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbaldehyde SMILES: CC1=C(SC(=N1)C2=CN=CC=C2)C=O

PubChem CID 43811058
CAS 958443-39-5
Molecular Weight (g/mol) 204.247
MDL Number MFCD12198119
SMILES CC1=C(SC(=N1)C2=CN=CC=C2)C=O
Synonym 4-methyl-2-pyridin-3-yl thiazole-5-carbaldehyde,4-methyl-2-pyrid-3-yl-1,3-thiazole-5-carbaldehyde,4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbaldehyde,4-methyl-2-pyridin-3-yl-thiazole-5-carbaldehyde,4-methyl-2-3-pyridyl-1,3-thiazole-5-carbaldehyde
IUPAC Name 4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbaldehyde
InChI Key KHHZRQVJLBGSNM-UHFFFAOYSA-N
Molecular Formula C10H8N2OS
285

2-Methyl-1,3-thiazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 35272-15-2 Molecular Formula: C5H5NO2S Molecular Weight (g/mol): 143.16 MDL Number: MFCD03407332 InChI Key: ZHDRDZMTEOIWSX-UHFFFAOYSA-N Synonym: 2-methylthiazole-4-carboxylic acid,2-methyl-4-thiazolecarboxylic acid,4-thiazolecarboxylic acid, 2-methyl,2-methyl-thiazole-4-carboxylic acid,2-methyl-4-thiazolecarboxylicacid,2-methyl-thiazole4-carboxylic acid,4-thiazolecarboxylicacid, 2-methyl,2-methyl-1,3-thiazole-4-carboxylicacid PubChem CID: 284728 IUPAC Name: 2-methyl-1,3-thiazole-4-carboxylic acid SMILES: CC1=NC(=CS1)C(=O)O

PubChem CID 284728
CAS 35272-15-2
Molecular Weight (g/mol) 143.16
MDL Number MFCD03407332
SMILES CC1=NC(=CS1)C(=O)O
Synonym 2-methylthiazole-4-carboxylic acid,2-methyl-4-thiazolecarboxylic acid,4-thiazolecarboxylic acid, 2-methyl,2-methyl-thiazole-4-carboxylic acid,2-methyl-4-thiazolecarboxylicacid,2-methyl-thiazole4-carboxylic acid,4-thiazolecarboxylicacid, 2-methyl,2-methyl-1,3-thiazole-4-carboxylicacid
IUPAC Name 2-methyl-1,3-thiazole-4-carboxylic acid
InChI Key ZHDRDZMTEOIWSX-UHFFFAOYSA-N
Molecular Formula C5H5NO2S