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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 (552)
Oxadiazoles (242)
Isoxazoles (232)
Thiadiazoles (71)
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1 – 15 of 6,949 results
1

1,2-Dimethylimidazole, 96+%

CAS: 1739-84-0 Molecular Formula: C5H8N2 Molecular Weight (g/mol): 96.13 MDL Number: MFCD00005294 InChI Key: GIWQSPITLQVMSG-UHFFFAOYSA-N Synonym: 1,2-dimethyl-1h-imidazole,1h-imidazole, 1,2-dimethyl,imidazole, 1,2-dimethyl,1h-imidazole, dimethyl,unii-q41bc3grjb,q41bc3grjb,lupragen r dmi,1,2-dimethylimdazole,1,2 dimethylimidazole,n,2-dimethylimidazole PubChem CID: 15617 IUPAC Name: 1,2-dimethylimidazole SMILES: CN1C=CN=C1C

EDGE
PubChem CID 15617
CAS 1739-84-0
Molecular Weight (g/mol) 96.13
MDL Number MFCD00005294
SMILES CN1C=CN=C1C
Synonym 1,2-dimethyl-1h-imidazole,1h-imidazole, 1,2-dimethyl,imidazole, 1,2-dimethyl,1h-imidazole, dimethyl,unii-q41bc3grjb,q41bc3grjb,lupragen r dmi,1,2-dimethylimdazole,1,2 dimethylimidazole,n,2-dimethylimidazole
IUPAC Name 1,2-dimethylimidazole
InChI Key GIWQSPITLQVMSG-UHFFFAOYSA-N
Molecular Formula C5H8N2
2

Sulfamethoxazole, 98%

CAS: 723-46-6 Molecular Formula: C10H11N3O3S Molecular Weight (g/mol): 253.276 MDL Number: MFCD00010546 InChI Key: JLKIGFTWXXRPMT-UHFFFAOYSA-N Synonym: sulfamethoxazole,sulphamethoxazole,sulfisomezole,gantanol,sulfamethoxazol,metoxal,sulfamethylisoxazole,simsinomin,radonil,sinomin PubChem CID: 5329 ChEBI: CHEBI:9332 IUPAC Name: 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide SMILES: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N

PubChem CID 5329
CAS 723-46-6
Molecular Weight (g/mol) 253.276
ChEBI CHEBI:9332
MDL Number MFCD00010546
SMILES CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N
Synonym sulfamethoxazole,sulphamethoxazole,sulfisomezole,gantanol,sulfamethoxazol,metoxal,sulfamethylisoxazole,simsinomin,radonil,sinomin
IUPAC Name 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
InChI Key JLKIGFTWXXRPMT-UHFFFAOYSA-N
Molecular Formula C10H11N3O3S
3

3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide, 98%

CAS: 54016-70-5 Molecular Formula: C8H14BrNOS Molecular Weight (g/mol): 252.17 MDL Number: MFCD00040549 InChI Key: BDQRQMLWZJQQKS-UHFFFAOYSA-M Synonym: 3-ethyl-5-2-hydroxyethyl-4-methylthiazolium bromide,3-ethyl-5-2-hydroxyethyl-4-methylthiazoliumbromide,3-ethyl-5-2-hydroxyethyl-4-methylthiazol-3-ium bromide,thiazolium, 3-ethyl-5-2-hydroxyethyl-4-methyl-, bromide,2-3-ethyl-4-methyl-thiazol-3-ium-5-yl ethanol bromide,3-ethyl-5-2-hydroxyethyl-4-methyl-1,3-thiazol-3-ium bromide,pubchem15236,acmc-1area,ksc272q3h,3ethyl-5-2-hydroxyethyl-4-methylthiazolium bromide PubChem CID: 9964923 IUPAC Name: 2-(3-ethyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol;bromide SMILES: CC[N+]1=CSC(=C1C)CCO.[Br-]

PubChem CID 9964923
CAS 54016-70-5
Molecular Weight (g/mol) 252.17
MDL Number MFCD00040549
SMILES CC[N+]1=CSC(=C1C)CCO.[Br-]
Synonym 3-ethyl-5-2-hydroxyethyl-4-methylthiazolium bromide,3-ethyl-5-2-hydroxyethyl-4-methylthiazoliumbromide,3-ethyl-5-2-hydroxyethyl-4-methylthiazol-3-ium bromide,thiazolium, 3-ethyl-5-2-hydroxyethyl-4-methyl-, bromide,2-3-ethyl-4-methyl-thiazol-3-ium-5-yl ethanol bromide,3-ethyl-5-2-hydroxyethyl-4-methyl-1,3-thiazol-3-ium bromide,pubchem15236,acmc-1area,ksc272q3h,3ethyl-5-2-hydroxyethyl-4-methylthiazolium bromide
IUPAC Name 2-(3-ethyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol;bromide
InChI Key BDQRQMLWZJQQKS-UHFFFAOYSA-M
Molecular Formula C8H14BrNOS
4

2-Amino-4-phenylthiazole, 97%

CAS: 2010-06-2 Molecular Formula: C9H8N2S Molecular Weight (g/mol): 176.24 MDL Number: MFCD00039680 InChI Key: PYSJLPAOBIGQPK-UHFFFAOYSA-N

CAS 2010-06-2
Molecular Weight (g/mol) 176.24
MDL Number MFCD00039680
InChI Key PYSJLPAOBIGQPK-UHFFFAOYSA-N
Molecular Formula C9H8N2S
5

1-Methylimidazole 99.0+%, TCI America™

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 IUPAC Name: 1-methyl-1H-imidazole SMILES: CN1C=CN=C1

EDGE
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
IUPAC Name 1-methyl-1H-imidazole
InChI Key MCTWTZJPVLRJOU-UHFFFAOYSA-N
Molecular Formula C4H6N2
6

Thermo Scientific Chemicals Metronidazole, 99%

CAS: 443-48-1 Molecular Formula: C6H9N3O3 Molecular Weight (g/mol): 171.16 MDL Number: MFCD00009750 InChI Key: VAOCPAMSLUNLGC-UHFFFAOYSA-N Synonym: metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol PubChem CID: 4173 ChEBI: CHEBI:6909 IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanol SMILES: CC1=NC=C(N1CCO)[N+](=O)[O-]

PubChem CID 4173
CAS 443-48-1
Molecular Weight (g/mol) 171.16
ChEBI CHEBI:6909
MDL Number MFCD00009750
SMILES CC1=NC=C(N1CCO)[N+](=O)[O-]
Synonym metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol
IUPAC Name 2-(2-methyl-5-nitroimidazol-1-yl)ethanol
InChI Key VAOCPAMSLUNLGC-UHFFFAOYSA-N
Molecular Formula C6H9N3O3
7

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 IUPAC Name: 1-methylimidazole 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
IUPAC Name 1-methylimidazole
InChI Key MCTWTZJPVLRJOU-UHFFFAOYSA-N
Molecular Formula C4H6N2
8

1H-Benzotriazole, 99%

CAS: 95-14-7 Molecular Formula: C6H5N3 Molecular Weight (g/mol): 119.13 MDL Number: MFCD00005699 InChI Key: QRUDEWIWKLJBPS-UHFFFAOYSA-N Synonym: 1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole PubChem CID: 7220 ChEBI: CHEBI:75331 IUPAC Name: 2H-benzotriazole SMILES: C1=CC2=NNN=C2C=C1

PubChem CID 7220
CAS 95-14-7
Molecular Weight (g/mol) 119.13
ChEBI CHEBI:75331
MDL Number MFCD00005699
SMILES C1=CC2=NNN=C2C=C1
Synonym 1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole
IUPAC Name 2H-benzotriazole
InChI Key QRUDEWIWKLJBPS-UHFFFAOYSA-N
Molecular Formula C6H5N3
9

Thermo Scientific Chemicals Allopurinol, 98%

CAS: 315-30-0 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00599413 InChI Key: OFCNXPDARWKPPY-UHFFFAOYSA-N Synonym: allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin PubChem CID: 2094 ChEBI: CHEBI:40279 IUPAC Name: 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one SMILES: O=C1N=CN=C2NNC=C12

PubChem CID 2094
CAS 315-30-0
Molecular Weight (g/mol) 136.11
ChEBI CHEBI:40279
MDL Number MFCD00599413
SMILES O=C1N=CN=C2NNC=C12
Synonym allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin
IUPAC Name 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
InChI Key OFCNXPDARWKPPY-UHFFFAOYSA-N
Molecular Formula C5H4N4O
10

1H-Benzotriazole, 99%

CAS: 95-14-7 Molecular Formula: C6H5N3 Molecular Weight (g/mol): 119.127 MDL Number: MFCD00005699 InChI Key: QRUDEWIWKLJBPS-UHFFFAOYSA-N Synonym: 1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole PubChem CID: 7220 ChEBI: CHEBI:75331 IUPAC Name: 2H-benzotriazole SMILES: C1=CC2=NNN=C2C=C1

PubChem CID 7220
CAS 95-14-7
Molecular Weight (g/mol) 119.127
ChEBI CHEBI:75331
MDL Number MFCD00005699
SMILES C1=CC2=NNN=C2C=C1
Synonym 1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole
IUPAC Name 2H-benzotriazole
InChI Key QRUDEWIWKLJBPS-UHFFFAOYSA-N
Molecular Formula C6H5N3
11

3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride, 98%

CAS: 4568-71-2 Molecular Formula: C13H16ClNOS Molecular Weight (g/mol): 269.79 MDL Number: MFCD00011959 InChI Key: IWSVLBKHBJGMAA-UHFFFAOYSA-M Synonym: 3-benzyl-5-2-hydroxyethyl-4-methylthiazolium chloride,3-benzyl-5-2-hydroxyethyl-4-methylthiazol-3-ium chloride,3-benzyl-5-2-hydroxyethyl-4-methyl-1,3-thiazol-3-ium chloride,thiazolium, 5-2-hydroxyethyl-4-methyl-3-phenylmethyl-, chloride,2-4-methyl-3-benzyl-1,3-thiazol-5-yl ethan-1-ol, chloride,acmc-1aqyn,3-benzyl-5-2-hydroxyethyl thazolium chloride,3-benzyl-4-methyl-5-hydroxyethylthiazolium chloride,3-benzyl-5-hydroxyethyl-4-methylthiazolium chloride,3-benzyl-5 2-hydroxyethyl-4-methylthiazolium chloride PubChem CID: 2833352 IUPAC Name: 2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol;chloride SMILES: [Cl-].CC1=C(CCO)SC=[N+]1CC1=CC=CC=C1

PubChem CID 2833352
CAS 4568-71-2
Molecular Weight (g/mol) 269.79
MDL Number MFCD00011959
SMILES [Cl-].CC1=C(CCO)SC=[N+]1CC1=CC=CC=C1
Synonym 3-benzyl-5-2-hydroxyethyl-4-methylthiazolium chloride,3-benzyl-5-2-hydroxyethyl-4-methylthiazol-3-ium chloride,3-benzyl-5-2-hydroxyethyl-4-methyl-1,3-thiazol-3-ium chloride,thiazolium, 5-2-hydroxyethyl-4-methyl-3-phenylmethyl-, chloride,2-4-methyl-3-benzyl-1,3-thiazol-5-yl ethan-1-ol, chloride,acmc-1aqyn,3-benzyl-5-2-hydroxyethyl thazolium chloride,3-benzyl-4-methyl-5-hydroxyethylthiazolium chloride,3-benzyl-5-hydroxyethyl-4-methylthiazolium chloride,3-benzyl-5 2-hydroxyethyl-4-methylthiazolium chloride
IUPAC Name 2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol;chloride
InChI Key IWSVLBKHBJGMAA-UHFFFAOYSA-M
Molecular Formula C13H16ClNOS
12

2-Phenylbenzimidazole-5-sulfonic acid, 98%

CAS: 27503-81-7 Molecular Formula: C13H10N2O3S Molecular Weight (g/mol): 274.29 MDL Number: MFCD00053007 InChI Key: UVCJGUGAGLDPAA-UHFFFAOYSA-N Synonym: ensulizole,2-phenylbenzimidazole-5-sulfonic acid,phenylbenzimidazole sulfonic acid,2-phenyl-1h-benzo d imidazole-5-sulfonic acid,2-phenyl-1h-benzo d imidazole-6-sulfonic acid,1h-benzimidazole-5-sulfonic acid, 2-phenyl,unii-9yq9di1w42,2-phenyl-1h-benzimidazole-5-sulfonic acid,parsol hs,2-phenyl-5-benzimidazolesulfonic acid PubChem CID: 33919 IUPAC Name: 2-phenyl-3H-benzimidazole-5-sulfonic acid SMILES: OS(=O)(=O)C1=CC=C2N=C(NC2=C1)C1=CC=CC=C1

PubChem CID 33919
CAS 27503-81-7
Molecular Weight (g/mol) 274.29
MDL Number MFCD00053007
SMILES OS(=O)(=O)C1=CC=C2N=C(NC2=C1)C1=CC=CC=C1
Synonym ensulizole,2-phenylbenzimidazole-5-sulfonic acid,phenylbenzimidazole sulfonic acid,2-phenyl-1h-benzo d imidazole-5-sulfonic acid,2-phenyl-1h-benzo d imidazole-6-sulfonic acid,1h-benzimidazole-5-sulfonic acid, 2-phenyl,unii-9yq9di1w42,2-phenyl-1h-benzimidazole-5-sulfonic acid,parsol hs,2-phenyl-5-benzimidazolesulfonic acid
IUPAC Name 2-phenyl-3H-benzimidazole-5-sulfonic acid
InChI Key UVCJGUGAGLDPAA-UHFFFAOYSA-N
Molecular Formula C13H10N2O3S
13

3-Hydroxy-5-methylisoxazole 98.0+%, TCI America™

CAS: 10004-44-1 Molecular Formula: C4H5NO2 Molecular Weight (g/mol): 99.089 MDL Number: MFCD00144468 InChI Key: KGVPNLBXJKTABS-UHFFFAOYSA-N Synonym: hymexazol,3-hydroxy-5-methylisoxazole,hymexazole,5-methylisoxazol-3-ol,5-methylisoxazol-3 2h-one,hydroxyisoxazole,tachigaren,itachigarden,5-methyl-3-hydroxyisoxazole,5-methyl-3 2h-isoxazolone PubChem CID: 24781 ChEBI: CHEBI:5827 IUPAC Name: 5-methyl-1,2-oxazol-3-one SMILES: CC1=CC(=O)NO1

PubChem CID 24781
CAS 10004-44-1
Molecular Weight (g/mol) 99.089
ChEBI CHEBI:5827
MDL Number MFCD00144468
SMILES CC1=CC(=O)NO1
Synonym hymexazol,3-hydroxy-5-methylisoxazole,hymexazole,5-methylisoxazol-3-ol,5-methylisoxazol-3 2h-one,hydroxyisoxazole,tachigaren,itachigarden,5-methyl-3-hydroxyisoxazole,5-methyl-3 2h-isoxazolone
IUPAC Name 5-methyl-1,2-oxazol-3-one
InChI Key KGVPNLBXJKTABS-UHFFFAOYSA-N
Molecular Formula C4H5NO2
14

Allopurinol, 99.78%, MP Biomedicals™

CAS: 315-30-0 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00599413 InChI Key: OFCNXPDARWKPPY-UHFFFAOYSA-N Synonym: allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin PubChem CID: 2094 ChEBI: CHEBI:40279 IUPAC Name: 1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one SMILES: O=C1N=CN=C2NNC=C12

PubChem CID 2094
CAS 315-30-0
Molecular Weight (g/mol) 136.11
ChEBI CHEBI:40279
MDL Number MFCD00599413
SMILES O=C1N=CN=C2NNC=C12
Synonym allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin
IUPAC Name 1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one
InChI Key OFCNXPDARWKPPY-UHFFFAOYSA-N
Molecular Formula C5H4N4O
15

Tinidazole 98.0+%, TCI America™

CAS: 19387-91-8 Molecular Formula: C8H13N3O4S Molecular Weight (g/mol): 247.27 MDL Number: MFCD00057217 InChI Key: HJLSLZFTEKNLFI-UHFFFAOYSA-N Synonym: 1-[2-(Ethylsulfonyl)ethyl]-2-methyl-5-nitroimidazole PubChem CID: 5479 ChEBI: CHEBI:63627 IUPAC Name: 1-[2-(ethanesulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole SMILES: CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O

PubChem CID 5479
CAS 19387-91-8
Molecular Weight (g/mol) 247.27
ChEBI CHEBI:63627
MDL Number MFCD00057217
SMILES CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O
Synonym 1-[2-(Ethylsulfonyl)ethyl]-2-methyl-5-nitroimidazole
IUPAC Name 1-[2-(ethanesulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole
InChI Key HJLSLZFTEKNLFI-UHFFFAOYSA-N
Molecular Formula C8H13N3O4S