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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 (2,978)
Thiazoles (2,022)
Pyrazoles (1,494)
Triazoles (583)
Oxazoles (552)
Oxadiazoles (244)
Isoxazoles (232)
Thiadiazoles (71)
Dithiazoles (4)

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151 – 165 of 6,956 results
151

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
152

3-Amino-1H-pyrazole-4-carbonitrile, 98%

CAS: 16617-46-2 Molecular Formula: C4H4N4 Molecular Weight (g/mol): 108.104 MDL Number: MFCD00005237 InChI Key: FFNKBQRKZRMYCL-UHFFFAOYSA-N Synonym: 3-amino-4-pyrazolecarbonitrile,3-amino-1h-pyrazole-4-carbonitrile,3-amino-4-cyanopyrazole,3-aminopyrazole-4-carbonitrile,5-amino-4-cyanopyrazole,1h-pyrazole-4-carbonitrile, 3-amino,5-aminopyrazole-4-carbonitrile,3-amino-4-cyano-1h-pyrazole,4-cyano-5-aminopyrazole,3-amino-4-cyano pyrazole PubChem CID: 85515 IUPAC Name: 5-amino-1H-pyrazole-4-carbonitrile SMILES: C1=NNC(=C1C#N)N

PubChem CID 85515
CAS 16617-46-2
Molecular Weight (g/mol) 108.104
MDL Number MFCD00005237
SMILES C1=NNC(=C1C#N)N
Synonym 3-amino-4-pyrazolecarbonitrile,3-amino-1h-pyrazole-4-carbonitrile,3-amino-4-cyanopyrazole,3-aminopyrazole-4-carbonitrile,5-amino-4-cyanopyrazole,1h-pyrazole-4-carbonitrile, 3-amino,5-aminopyrazole-4-carbonitrile,3-amino-4-cyano-1h-pyrazole,4-cyano-5-aminopyrazole,3-amino-4-cyano pyrazole
IUPAC Name 5-amino-1H-pyrazole-4-carbonitrile
InChI Key FFNKBQRKZRMYCL-UHFFFAOYSA-N
Molecular Formula C4H4N4
153

Ethyl 2-aminooxazole-4-carboxylate, 95%

CAS: 177760-52-0 Molecular Formula: C6H8N2O3 Molecular Weight (g/mol): 156.14 MDL Number: MFCD06659907 InChI Key: NBABLVASYFPOEV-UHFFFAOYSA-N PubChem CID: 319549 IUPAC Name: ethyl 2-amino-1,3-oxazole-4-carboxylate SMILES: CCOC(=O)C1=COC(N)=N1

PubChem CID 319549
CAS 177760-52-0
Molecular Weight (g/mol) 156.14
MDL Number MFCD06659907
SMILES CCOC(=O)C1=COC(N)=N1
IUPAC Name ethyl 2-amino-1,3-oxazole-4-carboxylate
InChI Key NBABLVASYFPOEV-UHFFFAOYSA-N
Molecular Formula C6H8N2O3
154

5-Bromo-2,4-diphenyl-1,3-thiazole, ≥97%, Thermo Scientific™

CAS: 35342-50-8 Molecular Formula: C15H10BrNS Molecular Weight (g/mol): 316.22 MDL Number: MFCD08060523 InChI Key: KKDPGKYZSJFNLZ-UHFFFAOYSA-N Synonym: 5-bromo-2,4-diphenylthiazole,thiazole,5-bromo-2,4-diphenyl,thiazole, 5-bromo-2,4-diphenyl PubChem CID: 7537557 IUPAC Name: 5-bromo-2,4-diphenyl-1,3-thiazole SMILES: BrC1=C(N=C(S1)C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 7537557
CAS 35342-50-8
Molecular Weight (g/mol) 316.22
MDL Number MFCD08060523
SMILES BrC1=C(N=C(S1)C1=CC=CC=C1)C1=CC=CC=C1
Synonym 5-bromo-2,4-diphenylthiazole,thiazole,5-bromo-2,4-diphenyl,thiazole, 5-bromo-2,4-diphenyl
IUPAC Name 5-bromo-2,4-diphenyl-1,3-thiazole
InChI Key KKDPGKYZSJFNLZ-UHFFFAOYSA-N
Molecular Formula C15H10BrNS
155

1-Ethyl-3-methylimidazolium tetrafluoroborate, 98+% (dry wt.), may cont. up to 3% water

CAS: 143314-16-3 Molecular Formula: C6H11BF4N2 Molecular Weight (g/mol): 197.97 MDL Number: MFCD00216668 InChI Key: CUNYTRQQXKCRTJ-UHFFFAOYSA-N Synonym: 1-ethyl-3-methylimidazolium tetrafluoroborate,1-ethyl-3-methyl-1h-imidazol-3-ium tetrafluoroborate,emimbf4,basionics™ ee 03,acmc-209cq9,dsstox_cid_29074,dsstox_rid_83293,dsstox_gsid_49218,ksc174g8n,1-methyl-3-ethylimidazolium tetrafluoroborate PubChem CID: 2769348 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;tetrafluoroborate SMILES: F[B-](F)(F)F.CCN1C=C[N+](C)=C1

PubChem CID 2769348
CAS 143314-16-3
Molecular Weight (g/mol) 197.97
MDL Number MFCD00216668
SMILES F[B-](F)(F)F.CCN1C=C[N+](C)=C1
Synonym 1-ethyl-3-methylimidazolium tetrafluoroborate,1-ethyl-3-methyl-1h-imidazol-3-ium tetrafluoroborate,emimbf4,basionics™ ee 03,acmc-209cq9,dsstox_cid_29074,dsstox_rid_83293,dsstox_gsid_49218,ksc174g8n,1-methyl-3-ethylimidazolium tetrafluoroborate
IUPAC Name 1-ethyl-3-methylimidazol-3-ium;tetrafluoroborate
InChI Key CUNYTRQQXKCRTJ-UHFFFAOYSA-N
Molecular Formula C6H11BF4N2
156

1-Methylimidazole, 99%

CAS: 616-47-7 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00005292 InChI Key: MCTWTZJPVLRJOU-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole PubChem CID: 1390 ChEBI: CHEBI:113454 SMILES: CN1C=CN=C1

PubChem CID 1390
CAS 616-47-7
Molecular Weight (g/mol) 82.11
ChEBI CHEBI:113454
MDL Number MFCD00005292
SMILES CN1C=CN=C1
Synonym 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole
InChI Key MCTWTZJPVLRJOU-UHFFFAOYSA-N
Molecular Formula C4H6N2
157

1,1'-Thiocarbonyldiimidazole, tech 90%

CAS: 6160-65-2 Molecular Formula: C7H6N4S Molecular Weight (g/mol): 178.21 MDL Number: MFCD00005289 InChI Key: RAFNCPHFRHZCPS-UHFFFAOYSA-N Synonym: 1,1'-thiocarbonyldiimidazole,thiocarbonyldiimidazole,n,n'-thiocarbonyldiimidazole,di 1h-imidazol-1-yl methanethione,1,1-thiocarbonyldiimidazole,di imidazol-1-yl methanethione,n,n'-thiocarbonyldiimidazole tcdi,1h-imidazole, 1,1'-carbonothioylbis,n,n-thiocarbonyldiimidazole,1,1'-carbonothioylbis-1h-imidazole PubChem CID: 80264 IUPAC Name: di(imidazol-1-yl)methanethione SMILES: S=C(N1C=CN=C1)N1C=CN=C1

PubChem CID 80264
CAS 6160-65-2
Molecular Weight (g/mol) 178.21
MDL Number MFCD00005289
SMILES S=C(N1C=CN=C1)N1C=CN=C1
Synonym 1,1'-thiocarbonyldiimidazole,thiocarbonyldiimidazole,n,n'-thiocarbonyldiimidazole,di 1h-imidazol-1-yl methanethione,1,1-thiocarbonyldiimidazole,di imidazol-1-yl methanethione,n,n'-thiocarbonyldiimidazole tcdi,1h-imidazole, 1,1'-carbonothioylbis,n,n-thiocarbonyldiimidazole,1,1'-carbonothioylbis-1h-imidazole
IUPAC Name di(imidazol-1-yl)methanethione
InChI Key RAFNCPHFRHZCPS-UHFFFAOYSA-N
Molecular Formula C7H6N4S
158

1-Methyl-1H-imidazole-5-carbaldehyde, 97%, Thermo Scientific™

CAS: 39021-62-0 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.116 InChI Key: BNYKZFOZWZMEJD-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole-5-carbaldehyde,1-methyl-1h-imidazole-5-carboxaldehyde,3-methyl-3h-imidazole-4-carbaldehyde,1-methylimidazole-5-carboxaldehyde,1h-imidazole-5-carboxaldehyde, 1-methyl,1-methylimidazole-5-carbaldehyde,1-methyl-5-imidazolecarboxaldehyde,1-methylimidazole-5-carboxaldeyde,pubchem8047,5-formyl-1-methylimidazole PubChem CID: 573592 IUPAC Name: 3-methylimidazole-4-carbaldehyde SMILES: CN1C=NC=C1C=O

PubChem CID 573592
CAS 39021-62-0
Molecular Weight (g/mol) 110.116
SMILES CN1C=NC=C1C=O
Synonym 1-methyl-1h-imidazole-5-carbaldehyde,1-methyl-1h-imidazole-5-carboxaldehyde,3-methyl-3h-imidazole-4-carbaldehyde,1-methylimidazole-5-carboxaldehyde,1h-imidazole-5-carboxaldehyde, 1-methyl,1-methylimidazole-5-carbaldehyde,1-methyl-5-imidazolecarboxaldehyde,1-methylimidazole-5-carboxaldeyde,pubchem8047,5-formyl-1-methylimidazole
IUPAC Name 3-methylimidazole-4-carbaldehyde
InChI Key BNYKZFOZWZMEJD-UHFFFAOYSA-N
Molecular Formula C5H6N2O
159

2-Bromo-1-[4-methyl-2-(2-pyrazinyl)-1,3-thiazol-5-yl]-1-ethanone, ≥90%, Thermo Scientific™

CAS: 423768-43-8 Molecular Formula: C10H8BrN3OS Molecular Weight (g/mol): 298.158 MDL Number: MFCD03407321 InChI Key: PQWKERRFBZJRSD-UHFFFAOYSA-N Synonym: 2-bromo-1-4-methyl-2-2-pyrazinyl-1,3-thiazol-5-yl-1-ethanone,2-bromo-1-4-methyl-2-pyrazin-2-yl thiazol-5-yl ethanone,ethanone,2-bromo-1-4-methyl-2-2-pyrazinyl-5-thiazolyl,2-bromo-1-4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl ethanone,5-bromoacetyl-4-methyl-2-pyrazin-2-yl-1,3-thiazole,2-bromo-1 4-methyl-2-2-pyrazinyl-1,3-thiazol-5-yl-1-ethanone,2-bromo-1-4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl ethan-1-one PubChem CID: 2776507 IUPAC Name: 2-bromo-1-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)ethanone SMILES: CC1=C(SC(=N1)C2=NC=CN=C2)C(=O)CBr

PubChem CID 2776507
CAS 423768-43-8
Molecular Weight (g/mol) 298.158
MDL Number MFCD03407321
SMILES CC1=C(SC(=N1)C2=NC=CN=C2)C(=O)CBr
Synonym 2-bromo-1-4-methyl-2-2-pyrazinyl-1,3-thiazol-5-yl-1-ethanone,2-bromo-1-4-methyl-2-pyrazin-2-yl thiazol-5-yl ethanone,ethanone,2-bromo-1-4-methyl-2-2-pyrazinyl-5-thiazolyl,2-bromo-1-4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl ethanone,5-bromoacetyl-4-methyl-2-pyrazin-2-yl-1,3-thiazole,2-bromo-1 4-methyl-2-2-pyrazinyl-1,3-thiazol-5-yl-1-ethanone,2-bromo-1-4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl ethan-1-one
IUPAC Name 2-bromo-1-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)ethanone
InChI Key PQWKERRFBZJRSD-UHFFFAOYSA-N
Molecular Formula C10H8BrN3OS
160

2-Amino-4-(2-naphthyl)thiazole, 98%

CAS: 21331-43-1 Molecular Formula: C13H10N2S Molecular Weight (g/mol): 226.297 MDL Number: MFCD00046452 InChI Key: GWDNDNTTXIIXRS-UHFFFAOYSA-N Synonym: 4-naphthalen-2-yl-thiazol-2-ylamine,4-naphthalen-2-yl-1,3-thiazol-2-amine,4-2-naphthyl-1,3-thiazol-2-amine,2-amino-4-2-naphthyl thiazole,4-naphthalen-2-yl thiazol-2-amine,4-naphthalen-2-yl-thiazol-2-yl-amine,4-2-naphthalenyl-2-thiazolamine,2-thiazolamine,4-2-naphthalenyl,4-2-naphthyl-1,3-thiazole-2-ylamine,acmc-20ao57 PubChem CID: 673702 IUPAC Name: 4-naphthalen-2-yl-1,3-thiazol-2-amine SMILES: C1=CC=C2C=C(C=CC2=C1)C3=CSC(=N3)N

PubChem CID 673702
CAS 21331-43-1
Molecular Weight (g/mol) 226.297
MDL Number MFCD00046452
SMILES C1=CC=C2C=C(C=CC2=C1)C3=CSC(=N3)N
Synonym 4-naphthalen-2-yl-thiazol-2-ylamine,4-naphthalen-2-yl-1,3-thiazol-2-amine,4-2-naphthyl-1,3-thiazol-2-amine,2-amino-4-2-naphthyl thiazole,4-naphthalen-2-yl thiazol-2-amine,4-naphthalen-2-yl-thiazol-2-yl-amine,4-2-naphthalenyl-2-thiazolamine,2-thiazolamine,4-2-naphthalenyl,4-2-naphthyl-1,3-thiazole-2-ylamine,acmc-20ao57
IUPAC Name 4-naphthalen-2-yl-1,3-thiazol-2-amine
InChI Key GWDNDNTTXIIXRS-UHFFFAOYSA-N
Molecular Formula C13H10N2S
161

Isoxazole, 99%

CAS: 288-14-2 Molecular Formula: C3H3NO Molecular Weight (g/mol): 69.063 MDL Number: MFCD00003149 InChI Key: CTAPFRYPJLPFDF-UHFFFAOYSA-N Synonym: isoxazole,1-oxa-2-azacyclopentadiene,isooxazole,unii-00srw0m6pw,00srw0m6pw,isoxazoles,pubchem8623,acmc-209h4x,ksc204o6n PubChem CID: 9254 ChEBI: CHEBI:35595 IUPAC Name: 1,2-oxazole SMILES: C1=CON=C1

PubChem CID 9254
CAS 288-14-2
Molecular Weight (g/mol) 69.063
ChEBI CHEBI:35595
MDL Number MFCD00003149
SMILES C1=CON=C1
Synonym isoxazole,1-oxa-2-azacyclopentadiene,isooxazole,unii-00srw0m6pw,00srw0m6pw,isoxazoles,pubchem8623,acmc-209h4x,ksc204o6n
IUPAC Name 1,2-oxazole
InChI Key CTAPFRYPJLPFDF-UHFFFAOYSA-N
Molecular Formula C3H3NO
162

1-n-Butyl-3-methylimidazolium chloride, 96%

CAS: 79917-90-1 Molecular Formula: C8H15ClN2 Molecular Weight (g/mol): 174.67 MDL Number: MFCD03095425 InChI Key: FHDQNOXQSTVAIC-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium chloride,3-butyl-1-methyl-1h-imidazol-3-ium chloride,1-n-butyl-3-methylimidazolium chloride,bmimcl,bmim cl,c4mim chloride,dsstox_cid_11461,dsstox_rid_78878,dsstox_gsid_31461 PubChem CID: 2734161 SMILES: [Cl-].CCCCN1C=C[N+](C)=C1

PubChem CID 2734161
CAS 79917-90-1
Molecular Weight (g/mol) 174.67
MDL Number MFCD03095425
SMILES [Cl-].CCCCN1C=C[N+](C)=C1
Synonym 1-butyl-3-methylimidazolium chloride,3-butyl-1-methyl-1h-imidazol-3-ium chloride,1-n-butyl-3-methylimidazolium chloride,bmimcl,bmim cl,c4mim chloride,dsstox_cid_11461,dsstox_rid_78878,dsstox_gsid_31461
InChI Key FHDQNOXQSTVAIC-UHFFFAOYSA-M
Molecular Formula C8H15ClN2
163

2-Bromothiazole-5-carboxaldehyde, 95%, Thermo Scientific Chemicals

CAS: 464192-28-7 Molecular Formula: C4H2BrNOS Molecular Weight (g/mol): 192.03 MDL Number: MFCD03788567 InChI Key: DJUWIZUEHXRECB-UHFFFAOYSA-N Synonym: 2-bromo-5-formylthiazole,2-bromothiazole-5-carbaldehyde,2-bromo-5-fomylthiazole,2-bromo-thiazole-5-carbaldehyde,5-thiazolecarboxaldehyde, 2-bromo,2-bromo-1,3-thiazole-5-carboxaldehyde,2-bromothiazole-5-carboxaldehyde,2-bromo-5-formyl-1,3-thiazole,pubchem21412,2-bromo-thiazole-5-carboxaldehyde PubChem CID: 2773259 IUPAC Name: 2-bromo-1,3-thiazole-5-carbaldehyde SMILES: BrC1=NC=C(S1)C=O

PubChem CID 2773259
CAS 464192-28-7
Molecular Weight (g/mol) 192.03
MDL Number MFCD03788567
SMILES BrC1=NC=C(S1)C=O
Synonym 2-bromo-5-formylthiazole,2-bromothiazole-5-carbaldehyde,2-bromo-5-fomylthiazole,2-bromo-thiazole-5-carbaldehyde,5-thiazolecarboxaldehyde, 2-bromo,2-bromo-1,3-thiazole-5-carboxaldehyde,2-bromothiazole-5-carboxaldehyde,2-bromo-5-formyl-1,3-thiazole,pubchem21412,2-bromo-thiazole-5-carboxaldehyde
IUPAC Name 2-bromo-1,3-thiazole-5-carbaldehyde
InChI Key DJUWIZUEHXRECB-UHFFFAOYSA-N
Molecular Formula C4H2BrNOS
164

1-Methyl-5-(tri-n-butylstannyl)imidazole, 90+%, Thermo Scientific™

CAS: 147716-03-8 Molecular Formula: C16H32N2Sn Molecular Weight (g/mol): 371.156 MDL Number: MFCD01319031 InChI Key: OGYWKJKAIAEDQX-UHFFFAOYSA-N PubChem CID: 10915651 IUPAC Name: tributyl-(3-methylimidazol-4-yl)stannane SMILES: CCCC[Sn](CCCC)(CCCC)C1=CN=CN1C

PubChem CID 10915651
CAS 147716-03-8
Molecular Weight (g/mol) 371.156
MDL Number MFCD01319031
SMILES CCCC[Sn](CCCC)(CCCC)C1=CN=CN1C
IUPAC Name tributyl-(3-methylimidazol-4-yl)stannane
InChI Key OGYWKJKAIAEDQX-UHFFFAOYSA-N
Molecular Formula C16H32N2Sn
165

3-Amino-5-phenyl-1,2,4-thiadiazole, 96%

CAS: 27182-54-3 Molecular Formula: C8H7N3S Molecular Weight (g/mol): 177.225 MDL Number: MFCD00159799 InChI Key: WOZDQVLZCXNJPY-UHFFFAOYSA-N Synonym: 3-amino-5-phenyl-1,2,4-thiadiazole,1,2,4-thiadiazol-3-amine, 5-phenyl,5-phenyl-1,2,4-thiadiazol-3-yl-amine,5-phenyl-1,2,4-thiadiazole-3-amine,# PubChem CID: 554203 IUPAC Name: 5-phenyl-1,2,4-thiadiazol-3-amine SMILES: C1=CC=C(C=C1)C2=NC(=NS2)N

PubChem CID 554203
CAS 27182-54-3
Molecular Weight (g/mol) 177.225
MDL Number MFCD00159799
SMILES C1=CC=C(C=C1)C2=NC(=NS2)N
Synonym 3-amino-5-phenyl-1,2,4-thiadiazole,1,2,4-thiadiazol-3-amine, 5-phenyl,5-phenyl-1,2,4-thiadiazol-3-yl-amine,5-phenyl-1,2,4-thiadiazole-3-amine,#
IUPAC Name 5-phenyl-1,2,4-thiadiazol-3-amine
InChI Key WOZDQVLZCXNJPY-UHFFFAOYSA-N
Molecular Formula C8H7N3S