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

C9H12N4O2S2 — CID 167880156

IUPAC1-ethyl-3-methyl-N-(1,2-thiazol-4-yl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cnsc2)c(C)n1
InChIInChI=1S/C9H12N4O2S2/c1-3-13-5-9(7(2)11-13)17(14,15)12-8-4-10-16-6-8/h4-6,12H,3H2,1-2H3
InChIKeyTWSSDUGOUDFRGF-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.47
Rot. Bonds4

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

1-ethyl-3-methyl-N-(1,2-thiazol-4-yl)pyrazole-4-sulfonamide (PubChem CID 167880156) has the molecular formula C9H12N4O2S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-(1,2-thiazol-4-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-(1,2-thiazol-4-yl)pyrazole-4-sulfonamide
PubChem CID167880156
Molecular FormulaC9H12N4O2S2
Molecular Weight272.35 g/mol
Exact Mass272.04
IUPAC Name1-ethyl-3-methyl-N-(1,2-thiazol-4-yl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cnsc2)c(C)n1
InChIInChI=1S/C9H12N4O2S2/c1-3-13-5-9(7(2)11-13)17(14,15)12-8-4-10-16-6-8/h4-6,12H,3H2,1-2H3
InChIKeyTWSSDUGOUDFRGF-UHFFFAOYSA-N
XLogP1.47
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-(1,2-thiazol-4-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3-methyl-N-(1,2-thiazol-4-yl)pyrazole-4-sulfonamide (CID 167880156) is 1-ethyl-3-methyl-N-(1,2-thiazol-4-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-(1,2-thiazol-4-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3-methyl-N-(1,2-thiazol-4-yl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2cnsc2)c(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-N-(1,2-thiazol-4-yl)pyrazole-4-sulfonamide?
The InChIKey is TWSSDUGOUDFRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S2/c1-3-13-5-9(7(2)11-13)17(14,15)12-8-4-10-16-6-8/h4-6,12H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-N-(1,2-thiazol-4-yl)pyrazole-4-sulfonamide?
1-ethyl-3-methyl-N-(1,2-thiazol-4-yl)pyrazole-4-sulfonamide has a molecular weight of 272.35 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-(1,2-thiazol-4-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 167880156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).