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

C9H12N4O2S2 — CID 43236419

IUPAC3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1csc(NS(=O)(=O)c2c(C)n[nH]c2C)n1
InChIInChI=1S/C9H12N4O2S2/c1-5-4-16-9(10-5)13-17(14,15)8-6(2)11-12-7(8)3/h4H,1-3H3,(H,10,13)(H,11,12)
InChIKeyBHVLHVFZYSSTRD-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.59
Rot. Bonds3

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

3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 43236419) has the molecular formula C9H12N4O2S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide
PubChem CID43236419
Molecular FormulaC9H12N4O2S2
Molecular Weight272.35 g/mol
Exact Mass272.04
IUPAC Name3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1csc(NS(=O)(=O)c2c(C)n[nH]c2C)n1
InChIInChI=1S/C9H12N4O2S2/c1-5-4-16-9(10-5)13-17(14,15)8-6(2)11-12-7(8)3/h4H,1-3H3,(H,10,13)(H,11,12)
InChIKeyBHVLHVFZYSSTRD-UHFFFAOYSA-N
XLogP1.59
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide (CID 43236419) is 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide is Cc1csc(NS(=O)(=O)c2c(C)n[nH]c2C)n1.
What is the InChIKey of 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is BHVLHVFZYSSTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S2/c1-5-4-16-9(10-5)13-17(14,15)8-6(2)11-12-7(8)3/h4H,1-3H3,(H,10,13)(H,11,12).
What are the key properties of 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 272.35 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 43236419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).