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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 (2,627)
Thiazoles (1,721)
Pyrazoles (1,300)
Triazoles (569)
Oxazoles (478)
Isoxazoles (230)
Oxadiazoles (227)
Thiadiazoles (68)
Dithiazoles (4)

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106 – 120 of 5,974 results
106

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

CAS: 20949-84-2 Molecular Formula: C5H5NOS Molecular Weight (g/mol): 127.16 MDL Number: MFCD06655197 InChI Key: AEHWVNPVEUVPMT-UHFFFAOYSA-N PubChem CID: 2763191 IUPAC Name: 2-methyl-1,3-thiazole-4-carbaldehyde SMILES: CC1=NC(C=O)=CS1

PubChem CID 2763191
CAS 20949-84-2
Molecular Weight (g/mol) 127.16
MDL Number MFCD06655197
SMILES CC1=NC(C=O)=CS1
IUPAC Name 2-methyl-1,3-thiazole-4-carbaldehyde
InChI Key AEHWVNPVEUVPMT-UHFFFAOYSA-N
Molecular Formula C5H5NOS
107

1-Butyl-2,3-dimethylimidazolium hexafluorophosphate, 99%

CAS: 227617-70-1 Molecular Formula: C9H17F6N2P Molecular Weight (g/mol): 298.21 MDL Number: MFCD03790877 InChI Key: JWFPQAXAGSAKRF-UHFFFAOYSA-N Synonym: 1-butyl-2,3-dimethylimidazolium hexafluorophosphate,1-butyl-2,3-dimethyl-1h-imidazol-3-ium hexafluorophosphate v,1-butyl-2,3-dimethylimidazol-1-ium hexafluorophosphate,3-butyl-1,2-dimethylimidazol-1-ium hexafluorophosphate,acmc-209fyn,bdmim pf6,c4c1mim pf6,c4mmim pf6,dsstox_cid_27883,dsstox_rid_82636 PubChem CID: 11243457 IUPAC Name: 1-butyl-2,3-dimethylimidazol-3-ium;hexafluorophosphate SMILES: F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1C

PubChem CID 11243457
CAS 227617-70-1
Molecular Weight (g/mol) 298.21
MDL Number MFCD03790877
SMILES F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1C
Synonym 1-butyl-2,3-dimethylimidazolium hexafluorophosphate,1-butyl-2,3-dimethyl-1h-imidazol-3-ium hexafluorophosphate v,1-butyl-2,3-dimethylimidazol-1-ium hexafluorophosphate,3-butyl-1,2-dimethylimidazol-1-ium hexafluorophosphate,acmc-209fyn,bdmim pf6,c4c1mim pf6,c4mmim pf6,dsstox_cid_27883,dsstox_rid_82636
IUPAC Name 1-butyl-2,3-dimethylimidazol-3-ium;hexafluorophosphate
InChI Key JWFPQAXAGSAKRF-UHFFFAOYSA-N
Molecular Formula C9H17F6N2P
108

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
109

MTT, 95%, Spectrum™ Chemical
SDP

CAS: 298-93-1

CAS 298-93-1
110

Ornidazole, 99%

CAS: 16773-42-5 Molecular Formula: C7H10ClN3O3 Molecular Weight (g/mol): 219.625 MDL Number: MFCD00057960 InChI Key: IPWKIXLWTCNBKN-UHFFFAOYSA-N Synonym: ornidazole,madelen,tiberal,ornidazolum,1-3-chloro-2-hydroxypropyl-2-methyl-5-nitroimidazole,ornidazol,1-chloro-3-2-methyl-5-nitro-1h-imidazol-1-yl propan-2-ol,1-chloro-3-2-methyl-5-nitro-1h-imidazol-1-yl-2-propanol,ornidal,1-2-hydroxy-3-chloropropyl-2-methyl-5-nitroimidazole PubChem CID: 28061 ChEBI: CHEBI:75176 IUPAC Name: 1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol SMILES: CC1=NC=C(N1CC(CCl)O)[N+](=O)[O-]

PubChem CID 28061
CAS 16773-42-5
Molecular Weight (g/mol) 219.625
ChEBI CHEBI:75176
MDL Number MFCD00057960
SMILES CC1=NC=C(N1CC(CCl)O)[N+](=O)[O-]
Synonym ornidazole,madelen,tiberal,ornidazolum,1-3-chloro-2-hydroxypropyl-2-methyl-5-nitroimidazole,ornidazol,1-chloro-3-2-methyl-5-nitro-1h-imidazol-1-yl propan-2-ol,1-chloro-3-2-methyl-5-nitro-1h-imidazol-1-yl-2-propanol,ornidal,1-2-hydroxy-3-chloropropyl-2-methyl-5-nitroimidazole
IUPAC Name 1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
InChI Key IPWKIXLWTCNBKN-UHFFFAOYSA-N
Molecular Formula C7H10ClN3O3
111

4-Imidazoleacetic acid hydrochloride, 98%

CAS: 3251-69-2 Molecular Formula: C5H7ClN2O2 Molecular Weight (g/mol): 162.57 MDL Number: MFCD00012698 InChI Key: MWHLCFYPFGFBQO-UHFFFAOYSA-N Synonym: 4-imidazoleacetic acid hydrochloride,2-1h-imidazol-5-yl acetic acid hydrochloride,imidazole-4-acetic acid hydrochloride,2-1h-imidazol-4-yl acetic acid hydrochloride,4-imidazoleacetic acid hcl,imidazoleacetic acid hydrochloride,unii-et7a74roao,4-imidazoleaceticacidhydrochloride,i4aa,et7a74roao PubChem CID: 145685 IUPAC Name: 2-(1H-imidazol-5-yl)acetic acid;hydrochloride SMILES: Cl.OC(=O)CC1=CN=CN1

PubChem CID 145685
CAS 3251-69-2
Molecular Weight (g/mol) 162.57
MDL Number MFCD00012698
SMILES Cl.OC(=O)CC1=CN=CN1
Synonym 4-imidazoleacetic acid hydrochloride,2-1h-imidazol-5-yl acetic acid hydrochloride,imidazole-4-acetic acid hydrochloride,2-1h-imidazol-4-yl acetic acid hydrochloride,4-imidazoleacetic acid hcl,imidazoleacetic acid hydrochloride,unii-et7a74roao,4-imidazoleaceticacidhydrochloride,i4aa,et7a74roao
IUPAC Name 2-(1H-imidazol-5-yl)acetic acid;hydrochloride
InChI Key MWHLCFYPFGFBQO-UHFFFAOYSA-N
Molecular Formula C5H7ClN2O2
112

Methyl thiazole-2-carboxylate, 95%

CAS: 55842-56-3 Molecular Formula: C5H5NO2S Molecular Weight (g/mol): 143.16 MDL Number: MFCD18075580 InChI Key: YRMZUOPMHMPNPG-UHFFFAOYSA-N PubChem CID: 7567660 IUPAC Name: methyl 1,3-thiazole-2-carboxylate SMILES: COC(=O)C1=NC=CS1

PubChem CID 7567660
CAS 55842-56-3
Molecular Weight (g/mol) 143.16
MDL Number MFCD18075580
SMILES COC(=O)C1=NC=CS1
IUPAC Name methyl 1,3-thiazole-2-carboxylate
InChI Key YRMZUOPMHMPNPG-UHFFFAOYSA-N
Molecular Formula C5H5NO2S
113

1,3-Dimethyl-1H-pyrazol-5-amine, 97%, Thermo Scientific™

CAS: 3524-32-1 Molecular Formula: C5H9N3 Molecular Weight (g/mol): 111.148 MDL Number: MFCD00051651 InChI Key: ZFDGMMZLXSFNFU-UHFFFAOYSA-N Synonym: 5-amino-1,3-dimethylpyrazole,1,3-dimethyl-1h-pyrazol-5-amine,1,3-dimethyl-1h-pyrazole-5yl-amine,1h-pyrazol-5-amine, 1,3-dimethyl,3-amino-2,5-dimethyl-2h-pyrazole,2,5-dimethyl-2h-pyrazol-3-ylamine,5-amino-1,3-dimethyl pyrazole,1,3-dimethyl-1h-pyrazole-5-amine,5-amino-1,3-dimethyl-1h-pyrazole,1,3-dimethyl-5-aminopyrazole PubChem CID: 520721 IUPAC Name: 2,5-dimethylpyrazol-3-amine SMILES: CC1=NN(C(=C1)N)C

PubChem CID 520721
CAS 3524-32-1
Molecular Weight (g/mol) 111.148
MDL Number MFCD00051651
SMILES CC1=NN(C(=C1)N)C
Synonym 5-amino-1,3-dimethylpyrazole,1,3-dimethyl-1h-pyrazol-5-amine,1,3-dimethyl-1h-pyrazole-5yl-amine,1h-pyrazol-5-amine, 1,3-dimethyl,3-amino-2,5-dimethyl-2h-pyrazole,2,5-dimethyl-2h-pyrazol-3-ylamine,5-amino-1,3-dimethyl pyrazole,1,3-dimethyl-1h-pyrazole-5-amine,5-amino-1,3-dimethyl-1h-pyrazole,1,3-dimethyl-5-aminopyrazole
IUPAC Name 2,5-dimethylpyrazol-3-amine
InChI Key ZFDGMMZLXSFNFU-UHFFFAOYSA-N
Molecular Formula C5H9N3
114

4-(2-Methyl-1H-imidazol-1-yl)benzylamine, 90%, Thermo Scientific™

CAS: 883291-45-0 Molecular Formula: C11H13N3 Molecular Weight (g/mol): 187.246 MDL Number: MFCD06617944 InChI Key: JOMOQABDRBJMDQ-UHFFFAOYSA-N Synonym: 4-2-methyl-1h-imidazol-1-yl benzylamine,1-4-2-methyl-1h-imidazol-1-yl phenyl methanamine,4-2-methylimidazol-1-yl phenyl methanamine,benzenemethanamine,4-2-methyl-1h-imidazol-1-yl,4-2-methyl-1h-imidazol-1-yl phenyl methanamine,4-2-methylimidazolyl phenyl methylamine,1-4-2-methylimidazol-1-yl phenyl methanamine PubChem CID: 4913134 IUPAC Name: [4-(2-methylimidazol-1-yl)phenyl]methanamine SMILES: CC1=NC=CN1C2=CC=C(C=C2)CN

PubChem CID 4913134
CAS 883291-45-0
Molecular Weight (g/mol) 187.246
MDL Number MFCD06617944
SMILES CC1=NC=CN1C2=CC=C(C=C2)CN
Synonym 4-2-methyl-1h-imidazol-1-yl benzylamine,1-4-2-methyl-1h-imidazol-1-yl phenyl methanamine,4-2-methylimidazol-1-yl phenyl methanamine,benzenemethanamine,4-2-methyl-1h-imidazol-1-yl,4-2-methyl-1h-imidazol-1-yl phenyl methanamine,4-2-methylimidazolyl phenyl methylamine,1-4-2-methylimidazol-1-yl phenyl methanamine
IUPAC Name [4-(2-methylimidazol-1-yl)phenyl]methanamine
InChI Key JOMOQABDRBJMDQ-UHFFFAOYSA-N
Molecular Formula C11H13N3
115

5-BOC-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine, 97%, Thermo Scientific™

CAS: 230301-11-8 Molecular Formula: C11H17N3O2 Molecular Weight (g/mol): 223.27 InChI Key: BHYPERDTLBCHAE-UHFFFAOYSA-N Synonym: tert-butyl 6,7-dihydro-1h-pyrazolo 4,3-c pyridine-5 4h-carboxylate,5-boc-1,4,6,7-tetrahydropyrazolo 4,3-c pyridine,tert-butyl 6,7-dihydro-2h-pyrazolo 4,3-c pyridine-5 4h-carboxylate,5-boc-4,5,6,7-tetrahydropyrazolo 4,3-c pyridine,tert-butyl 2h,4h,5h,6h,7h-pyrazolo 4,3-c pyridine-5-carboxylate,tert-butyl 1h,4h,5h,6h,7h-pyrazolo 4,3-c pyridine-5-carboxylate,tert-butyl 2,4,6,7-tetrahydro-5h-pyrazolo-4,3-c pyridine-5-carboxylate,tert-butyl 2,4,6,7-tetrahydro-5h-pyrazolo 4,3-c pyridine-5-carboxylate,t-butyl 1h,4h,6h,7h-pyrazolo 4,3-c pyridine-5-carboxylate,tert-butyl 1h,4h,6h,7h-pyrazolo 4,3-c pyridine-5-carboxylate PubChem CID: 10398680 IUPAC Name: tert-butyl 1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate SMILES: CC(C)(C)OC(=O)N1CCC2=C(C1)C=NN2

PubChem CID 10398680
CAS 230301-11-8
Molecular Weight (g/mol) 223.27
SMILES CC(C)(C)OC(=O)N1CCC2=C(C1)C=NN2
Synonym tert-butyl 6,7-dihydro-1h-pyrazolo 4,3-c pyridine-5 4h-carboxylate,5-boc-1,4,6,7-tetrahydropyrazolo 4,3-c pyridine,tert-butyl 6,7-dihydro-2h-pyrazolo 4,3-c pyridine-5 4h-carboxylate,5-boc-4,5,6,7-tetrahydropyrazolo 4,3-c pyridine,tert-butyl 2h,4h,5h,6h,7h-pyrazolo 4,3-c pyridine-5-carboxylate,tert-butyl 1h,4h,5h,6h,7h-pyrazolo 4,3-c pyridine-5-carboxylate,tert-butyl 2,4,6,7-tetrahydro-5h-pyrazolo-4,3-c pyridine-5-carboxylate,tert-butyl 2,4,6,7-tetrahydro-5h-pyrazolo 4,3-c pyridine-5-carboxylate,t-butyl 1h,4h,6h,7h-pyrazolo 4,3-c pyridine-5-carboxylate,tert-butyl 1h,4h,6h,7h-pyrazolo 4,3-c pyridine-5-carboxylate
IUPAC Name tert-butyl 1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
InChI Key BHYPERDTLBCHAE-UHFFFAOYSA-N
Molecular Formula C11H17N3O2
116

4-Methyl-1,2,3-thiadiazole-5-carboxylic acid, 97%, Thermo Scientific™

CAS: 18212-21-0 Molecular Formula: C4H3N2O2S Molecular Weight (g/mol): 143.14 MDL Number: MFCD00173830 InChI Key: NHHQOYLPBUYHQU-UHFFFAOYSA-M Synonym: 4-methyl-1,2,3-thiadiazole-5-carboxylic acid,4-methyl-1,2,3 thiadiazole-5-carboxylic acid,1,2,3-thiadiazole-5-carboxylic acid, 4-methyl,pubchem10092,acmc-209xfo,4-methyl-1,2,3-thiadiazole-5-carboxylicacid,tos-bb-0050,4-methyl-1,2,3 thiadiazol-5-carboxylic acid,4-methyl-5-hydroxycarbonyl-1,2,3-thiadiazole,4methyl-1,2,3 thiadiazole-5-carboxylic acid PubChem CID: 1381992 IUPAC Name: 4-methylthiadiazole-5-carboxylic acid SMILES: CC1=C(SN=N1)C([O-])=O

PubChem CID 1381992
CAS 18212-21-0
Molecular Weight (g/mol) 143.14
MDL Number MFCD00173830
SMILES CC1=C(SN=N1)C([O-])=O
Synonym 4-methyl-1,2,3-thiadiazole-5-carboxylic acid,4-methyl-1,2,3 thiadiazole-5-carboxylic acid,1,2,3-thiadiazole-5-carboxylic acid, 4-methyl,pubchem10092,acmc-209xfo,4-methyl-1,2,3-thiadiazole-5-carboxylicacid,tos-bb-0050,4-methyl-1,2,3 thiadiazol-5-carboxylic acid,4-methyl-5-hydroxycarbonyl-1,2,3-thiadiazole,4methyl-1,2,3 thiadiazole-5-carboxylic acid
IUPAC Name 4-methylthiadiazole-5-carboxylic acid
InChI Key NHHQOYLPBUYHQU-UHFFFAOYSA-M
Molecular Formula C4H3N2O2S
117

3-Bromo-7-nitroindazole, 98+%

CAS: 74209-34-0 Molecular Formula: C7H4BrN3O2 Molecular Weight (g/mol): 242.03 MDL Number: MFCD00159910 InChI Key: NFSTZPMYAZRZPC-UHFFFAOYSA-N Synonym: 3-bromo-7-nitroindazole,3-bromo-7-nitro-1h-indazole,1h-indazole,3-bromo-7-nitro,brni,3-bromo-7ni,3-br-7-nitroindazole,tocris-0735,lopac-b-2050,d0u6zt,d0x5qj PubChem CID: 1649 IUPAC Name: 3-bromo-7-nitro-2H-indazole SMILES: [O-][N+](=O)C1=CC=CC2=C(Br)NN=C12

PubChem CID 1649
CAS 74209-34-0
Molecular Weight (g/mol) 242.03
MDL Number MFCD00159910
SMILES [O-][N+](=O)C1=CC=CC2=C(Br)NN=C12
Synonym 3-bromo-7-nitroindazole,3-bromo-7-nitro-1h-indazole,1h-indazole,3-bromo-7-nitro,brni,3-bromo-7ni,3-br-7-nitroindazole,tocris-0735,lopac-b-2050,d0u6zt,d0x5qj
IUPAC Name 3-bromo-7-nitro-2H-indazole
InChI Key NFSTZPMYAZRZPC-UHFFFAOYSA-N
Molecular Formula C7H4BrN3O2
118

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
119

2-Amino-5-nitrothiazole, 97%

CAS: 121-66-4 Molecular Formula: C3H3N3O2S Molecular Weight (g/mol): 145.14 MDL Number: MFCD00005326 InChI Key: MIHADVKEHAFNPG-UHFFFAOYSA-N Synonym: 2-amino-5-nitrothiazole,5-nitrothiazol-2-amine,enheptin,entramin,2-thiazolamine, 5-nitro,nitramin ido,amnizol soluble,enheptin-t,5-nitro-2-thiazolamine,enheptin premix PubChem CID: 8486 ChEBI: CHEBI:82386 IUPAC Name: 5-nitro-1,3-thiazol-2-amine SMILES: NC1=NC=C(S1)[N+]([O-])=O

PubChem CID 8486
CAS 121-66-4
Molecular Weight (g/mol) 145.14
ChEBI CHEBI:82386
MDL Number MFCD00005326
SMILES NC1=NC=C(S1)[N+]([O-])=O
Synonym 2-amino-5-nitrothiazole,5-nitrothiazol-2-amine,enheptin,entramin,2-thiazolamine, 5-nitro,nitramin ido,amnizol soluble,enheptin-t,5-nitro-2-thiazolamine,enheptin premix
IUPAC Name 5-nitro-1,3-thiazol-2-amine
InChI Key MIHADVKEHAFNPG-UHFFFAOYSA-N
Molecular Formula C3H3N3O2S
120

2-Phenylbenzimidazole, 97%

CAS: 716-79-0 Molecular Formula: C13H10N2 Molecular Weight (g/mol): 194.24 MDL Number: MFCD00005592 InChI Key: DWYHDSLIWMUSOO-UHFFFAOYSA-N Synonym: 2-phenylbenzimidazole,2-phenyl-1h-benzo d imidazole,phenizidole,phenzidole,phenzidol,gainex,1h-benzimidazole, 2-phenyl,benzimidazole, 2-phenyl,2-phenylbenzimdazole,2-phenyl-1h-benzoimidazole PubChem CID: 12855 SMILES: N1C2=CC=CC=C2N=C1C1=CC=CC=C1

PubChem CID 12855
CAS 716-79-0
Molecular Weight (g/mol) 194.24
MDL Number MFCD00005592
SMILES N1C2=CC=CC=C2N=C1C1=CC=CC=C1
Synonym 2-phenylbenzimidazole,2-phenyl-1h-benzo d imidazole,phenizidole,phenzidole,phenzidol,gainex,1h-benzimidazole, 2-phenyl,benzimidazole, 2-phenyl,2-phenylbenzimdazole,2-phenyl-1h-benzoimidazole
InChI Key DWYHDSLIWMUSOO-UHFFFAOYSA-N
Molecular Formula C13H10N2