N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide

C9H12N4O2S2 — CID 61356371

IUPACN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCCc1nc(NS(=O)(=O)c2cn[nH]c2)sc1C
InChIInChI=1S/C9H12N4O2S2/c1-3-8-6(2)16-9(12-8)13-17(14,15)7-4-10-11-5-7/h4-5H,3H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyPQGTWHVUHTUFLN-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.54
Rot. Bonds4

About N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 61356371) has the molecular formula C9H12N4O2S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide
PubChem CID61356371
Molecular FormulaC9H12N4O2S2
Molecular Weight272.35 g/mol
Exact Mass272.04
IUPAC NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCCc1nc(NS(=O)(=O)c2cn[nH]c2)sc1C
InChIInChI=1S/C9H12N4O2S2/c1-3-8-6(2)16-9(12-8)13-17(14,15)7-4-10-11-5-7/h4-5H,3H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyPQGTWHVUHTUFLN-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide (CID 61356371) is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide is CCc1nc(NS(=O)(=O)c2cn[nH]c2)sc1C.
What is the InChIKey of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is PQGTWHVUHTUFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S2/c1-3-8-6(2)16-9(12-8)13-17(14,15)7-4-10-11-5-7/h4-5H,3H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide?
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 272.35 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61356371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).