2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide

C9H11ClN4O2S2 — CID 43547702

IUPAC2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C9H11ClN4O2S2/c1-4-7(5(2)13-12-4)14-18(15,16)8-6(3)11-9(10)17-8/h14H,1-3H3,(H,12,13)
InChIKeyVABQWNMXALDMTB-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.25
Rot. Bonds3

About 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 43547702) has the molecular formula C9H11ClN4O2S2 and a molecular weight of 306.80 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID43547702
Molecular FormulaC9H11ClN4O2S2
Molecular Weight306.80 g/mol
Exact Mass306.00
IUPAC Name2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C9H11ClN4O2S2/c1-4-7(5(2)13-12-4)14-18(15,16)8-6(3)11-9(10)17-8/h14H,1-3H3,(H,12,13)
InChIKeyVABQWNMXALDMTB-UHFFFAOYSA-N
XLogP2.25
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 43547702) is 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)Nc1c(C)n[nH]c1C.
What is the InChIKey of 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is VABQWNMXALDMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2S2/c1-4-7(5(2)13-12-4)14-18(15,16)8-6(3)11-9(10)17-8/h14H,1-3H3,(H,12,13).
What are the key properties of 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 306.80 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43547702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).