1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide

C9H12N4O2S2 — CID 42282263

IUPAC1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide
SMILESCc1csc(NS(=O)(=O)c2cn(C)nc2C)n1
InChIInChI=1S/C9H12N4O2S2/c1-6-5-16-9(10-6)12-17(14,15)8-4-13(3)11-7(8)2/h4-5H,1-3H3,(H,10,12)
InChIKeyGLTKHMUYROPKGH-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.29
Rot. Bonds3

About 1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide

1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide (PubChem CID 42282263) has the molecular formula C9H12N4O2S2 and a molecular weight of 272.36 g/mol. Its IUPAC name is 1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide
PubChem CID42282263
Molecular FormulaC9H12N4O2S2
Molecular Weight272.36 g/mol
Exact Mass272.04
IUPAC Name1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide
SMILESCc1csc(NS(=O)(=O)c2cn(C)nc2C)n1
InChIInChI=1S/C9H12N4O2S2/c1-6-5-16-9(10-6)12-17(14,15)8-4-13(3)11-7(8)2/h4-5H,1-3H3,(H,10,12)
InChIKeyGLTKHMUYROPKGH-UHFFFAOYSA-N
XLogP1.29
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide (CID 42282263) is 1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide is Cc1csc(NS(=O)(=O)c2cn(C)nc2C)n1.
What is the InChIKey of 1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide?
The InChIKey is GLTKHMUYROPKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S2/c1-6-5-16-9(10-6)12-17(14,15)8-4-13(3)11-7(8)2/h4-5H,1-3H3,(H,10,12).
What are the key properties of 1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide?
1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide has a molecular weight of 272.36 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 42282263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).