4-cyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazole-5-sulfonamide

C8H7N5O2S2 — CID 116647294

IUPAC4-cyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazole-5-sulfonamide
SMILESCc1nn(-c2nccs2)c(S(N)(=O)=O)c1C#N
InChIInChI=1S/C8H7N5O2S2/c1-5-6(4-9)7(17(10,14)15)13(12-5)8-11-2-3-16-8/h2-3H,1H3,(H2,10,14,15)
InChIKeyLHCLSAIDZFNFKM-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.16
Rot. Bonds2

About 4-cyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazole-5-sulfonamide

4-cyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazole-5-sulfonamide (PubChem CID 116647294) has the molecular formula C8H7N5O2S2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-cyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-cyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazole-5-sulfonamide
PubChem CID116647294
Molecular FormulaC8H7N5O2S2
Molecular Weight269.31 g/mol
Exact Mass269.00
IUPAC Name4-cyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazole-5-sulfonamide
SMILESCc1nn(-c2nccs2)c(S(N)(=O)=O)c1C#N
InChIInChI=1S/C8H7N5O2S2/c1-5-6(4-9)7(17(10,14)15)13(12-5)8-11-2-3-16-8/h2-3H,1H3,(H2,10,14,15)
InChIKeyLHCLSAIDZFNFKM-UHFFFAOYSA-N
XLogP0.16
TPSA114.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-cyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyano-1-(3,5-dimethylphenyl)-3-methylpyrazole-5-sulfonamide
CID 116647252
4-cyano-1-(2,4-dimethylphenyl)-3-methylpyrazole-5-sulfonamide
CID 116647246
1-(3-chlorophenyl)-4-cyano-3-methylpyrazole-5-sulfonamide
CID 116647231
3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-amine
CID 61176031
4-cyano-3-methyl-1-(3-nitrophenyl)pyrazole-5-sulfonamide
CID 116647241
3-butyl-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
CID 71201738
5-amino-3-(4-methylpiperidin-1-yl)-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
CID 102796819
3-methyl-4-nitro-1-(1,3-thiazol-2-yl)pyrazol-5-amine
CID 82878905
5-amino-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
CID 102809221
1-[3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-2-amine
CID 82881128
5-chloro-3-cyclopentyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
CID 113390701
5-amino-1-(1,3-thiazol-2-yl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile
CID 102796825

Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazole-5-sulfonamide?
The IUPAC name of 4-cyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazole-5-sulfonamide (CID 116647294) is 4-cyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazole-5-sulfonamide.
What is the SMILES notation for 4-cyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazole-5-sulfonamide?
The canonical SMILES for 4-cyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazole-5-sulfonamide is Cc1nn(-c2nccs2)c(S(N)(=O)=O)c1C#N.
What is the InChIKey of 4-cyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazole-5-sulfonamide?
The InChIKey is LHCLSAIDZFNFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2S2/c1-5-6(4-9)7(17(10,14)15)13(12-5)8-11-2-3-16-8/h2-3H,1H3,(H2,10,14,15).
What are the key properties of 4-cyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazole-5-sulfonamide?
4-cyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazole-5-sulfonamide has a molecular weight of 269.31 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazole-5-sulfonamide is sourced from PubChem (CID 116647294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).