N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide

C9H12N4O2S2 — CID 47371845

IUPACN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1csc(CCNS(=O)(=O)c2cn[nH]c2)n1
InChIInChI=1S/C9H12N4O2S2/c1-7-6-16-9(13-7)2-3-12-17(14,15)8-4-10-11-5-8/h4-6,12H,2-3H2,1H3,(H,10,11)
InChIKeyQXUUAZCAVQCXTI-UHFFFAOYSA-N
MW272.36 g/mol
LogP0.70
Rot. Bonds5

About N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 47371845) has the molecular formula C9H12N4O2S2 and a molecular weight of 272.36 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID47371845
Molecular FormulaC9H12N4O2S2
Molecular Weight272.36 g/mol
Exact Mass272.04
IUPAC NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1csc(CCNS(=O)(=O)c2cn[nH]c2)n1
InChIInChI=1S/C9H12N4O2S2/c1-7-6-16-9(13-7)2-3-12-17(14,15)8-4-10-11-5-8/h4-6,12H,2-3H2,1H3,(H,10,11)
InChIKeyQXUUAZCAVQCXTI-UHFFFAOYSA-N
XLogP0.70
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 49460068
3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110739236
6-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 63245102
1-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 122567250
4-(cyanomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 79203421
N-(2-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 47372092
3-amino-5-chloro-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 62057704
4-amino-2,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 79570352
N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide
CID 60916750
3-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]benzenecarbothioamide
CID 63239809
2,5-dibromo-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 81434950
N-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 47292229

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide (CID 47371845) is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide is Cc1csc(CCNS(=O)(=O)c2cn[nH]c2)n1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is QXUUAZCAVQCXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S2/c1-7-6-16-9(13-7)2-3-12-17(14,15)8-4-10-11-5-8/h4-6,12H,2-3H2,1H3,(H,10,11).
What are the key properties of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 272.36 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47371845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).