3-(4-chlorophenyl)-5-methyl-1,2-thiazole-4-carboxamide

C11H9ClN2OS — CID 163677959

IUPAC3-(4-chlorophenyl)-5-methyl-1,2-thiazole-4-carboxamide
SMILESCc1snc(-c2ccc(Cl)cc2)c1C(N)=O
InChIInChI=1S/C11H9ClN2OS/c1-6-9(11(13)15)10(14-16-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H2,13,15)
InChIKeyJIIWVPGKBZYPPD-UHFFFAOYSA-N
MW252.73 g/mol
LogP2.87
Rot. Bonds2

About 3-(4-chlorophenyl)-5-methyl-1,2-thiazole-4-carboxamide

3-(4-chlorophenyl)-5-methyl-1,2-thiazole-4-carboxamide (PubChem CID 163677959) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-methyl-1,2-thiazole-4-carboxamide
PubChem CID163677959
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC Name3-(4-chlorophenyl)-5-methyl-1,2-thiazole-4-carboxamide
SMILESCc1snc(-c2ccc(Cl)cc2)c1C(N)=O
InChIInChI=1S/C11H9ClN2OS/c1-6-9(11(13)15)10(14-16-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H2,13,15)
InChIKeyJIIWVPGKBZYPPD-UHFFFAOYSA-N
XLogP2.87
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-5-methyl-1,2-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 3-(4-chlorophenyl)-5-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-5-methyl-1,2-thiazole-4-carboxamide (CID 163677959) is 3-(4-chlorophenyl)-5-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-5-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-5-methyl-1,2-thiazole-4-carboxamide is Cc1snc(-c2ccc(Cl)cc2)c1C(N)=O.
What is the InChIKey of 3-(4-chlorophenyl)-5-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is JIIWVPGKBZYPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c1-6-9(11(13)15)10(14-16-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H2,13,15).
What are the key properties of 3-(4-chlorophenyl)-5-methyl-1,2-thiazole-4-carboxamide?
3-(4-chlorophenyl)-5-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 252.73 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 163677959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).