5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide

C9H12N4O2S2 — CID 63283991

IUPAC5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1ncsc1CNS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C9H12N4O2S2/c1-6-8(16-5-10-6)3-12-17(14,15)9-4-11-13-7(9)2/h4-5,12H,3H2,1-2H3,(H,11,13)
InChIKeyWUXQUEHZECCUAY-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.96
Rot. Bonds4

About 5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide

5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 63283991) has the molecular formula C9H12N4O2S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID63283991
Molecular FormulaC9H12N4O2S2
Molecular Weight272.35 g/mol
Exact Mass272.04
IUPAC Name5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1ncsc1CNS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C9H12N4O2S2/c1-6-8(16-5-10-6)3-12-17(14,15)9-4-11-13-7(9)2/h4-5,12H,3H2,1-2H3,(H,11,13)
InChIKeyWUXQUEHZECCUAY-UHFFFAOYSA-N
XLogP0.96
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-5-sulfonamide
CID 63283908
6-hydrazinyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-sulfonamide
CID 63284073
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 103698184
3-amino-5-chloro-2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 103051432
3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 106597308
2-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-sulfonamide
CID 63283647
4-amino-2,6-difluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63280248
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide
CID 63373679
N-(2-amino-2-ethylbutyl)-5-methyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 119999938
4-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63283497
5-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 63280665
3-amino-4,5-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63279899

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide (CID 63283991) is 5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide is Cc1ncsc1CNS(=O)(=O)c1cn[nH]c1C.
What is the InChIKey of 5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is WUXQUEHZECCUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S2/c1-6-8(16-5-10-6)3-12-17(14,15)9-4-11-13-7(9)2/h4-5,12H,3H2,1-2H3,(H,11,13).
What are the key properties of 5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide?
5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 272.35 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 63283991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).