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

C11H9ClN2OS — CID 1486898

IUPAC2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H9ClN2OS/c1-13-10(15)9-6-16-11(14-9)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,15)
InChIKeyJBKPQULYTPAMHX-UHFFFAOYSA-N
MW252.73 g/mol
LogP2.82
Rot. Bonds2

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

2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 1486898) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID1486898
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC Name2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H9ClN2OS/c1-13-10(15)9-6-16-11(14-9)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,15)
InChIKeyJBKPQULYTPAMHX-UHFFFAOYSA-N
XLogP2.82
TPSA41.99 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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide (CID 1486898) is 2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide is CNC(=O)c1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is JBKPQULYTPAMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c1-13-10(15)9-6-16-11(14-9)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,15).
What are the key properties of 2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide?
2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 252.73 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1486898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).