2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide

C14H11ClN4OS — CID 47038546

IUPAC2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)n[nH]1
InChIInChI=1S/C14H11ClN4OS/c1-8-6-12(19-18-8)17-13(20)11-7-21-14(16-11)9-2-4-10(15)5-3-9/h2-7H,1H3,(H2,17,18,19,20)
InChIKeyYNJXJLIUDZPBHQ-UHFFFAOYSA-N
MW318.79 g/mol
LogP3.75
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide

2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 47038546) has the molecular formula C14H11ClN4OS and a molecular weight of 318.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID47038546
Molecular FormulaC14H11ClN4OS
Molecular Weight318.79 g/mol
Exact Mass318.03
IUPAC Name2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)n[nH]1
InChIInChI=1S/C14H11ClN4OS/c1-8-6-12(19-18-8)17-13(20)11-7-21-14(16-11)9-2-4-10(15)5-3-9/h2-7H,1H3,(H2,17,18,19,20)
InChIKeyYNJXJLIUDZPBHQ-UHFFFAOYSA-N
XLogP3.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide 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-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide (CID 47038546) is 2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide is Cc1cc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)n[nH]1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is YNJXJLIUDZPBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4OS/c1-8-6-12(19-18-8)17-13(20)11-7-21-14(16-11)9-2-4-10(15)5-3-9/h2-7H,1H3,(H2,17,18,19,20).
What are the key properties of 2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide?
2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 318.79 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 47038546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).