N-(2-chloro-6-methylphenyl)-1,3-thiazole-4-carboxamide

C11H9ClN2OS — CID 66255718

IUPACN-(2-chloro-6-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1cscn1
InChIInChI=1S/C11H9ClN2OS/c1-7-3-2-4-8(12)10(7)14-11(15)9-5-16-6-13-9/h2-6H,1H3,(H,14,15)
InChIKeyPBLZWXZEVZFSMI-UHFFFAOYSA-N
MW252.73 g/mol
LogP3.36
Rot. Bonds2

About N-(2-chloro-6-methylphenyl)-1,3-thiazole-4-carboxamide

N-(2-chloro-6-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 66255718) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID66255718
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC NameN-(2-chloro-6-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1cscn1
InChIInChI=1S/C11H9ClN2OS/c1-7-3-2-4-8(12)10(7)14-11(15)9-5-16-6-13-9/h2-6H,1H3,(H,14,15)
InChIKeyPBLZWXZEVZFSMI-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 62045312
5-bromo-N-(2-chloro-6-methylphenyl)pyridine-2-carboxamide
CID 66255147
N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 62046847
N-(6-chloro-8-methylquinolin-5-yl)-1,3-thiazole-4-carboxamide
CID 63047841
N-(2-chloro-6-methylphenyl)pyrimidine-4-carboxamide
CID 141229709
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 66254491
5-amino-N-(2-chloro-6-methylphenyl)pyrazine-2-carboxamide
CID 107376052
N-(2-chloro-6-methylphenyl)-4-hydrazinylpyridine-2-carboxamide
CID 66256413
N-(2-chloro-6-methylphenyl)thiophene-2-carboxamide
CID 66254505
N-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 62045477
N-(2-chloro-6-methylphenyl)-4-hydroxy-2-methylbenzamide
CID 103865613

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-1,3-thiazole-4-carboxamide (CID 66255718) is N-(2-chloro-6-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1cccc(Cl)c1NC(=O)c1cscn1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PBLZWXZEVZFSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c1-7-3-2-4-8(12)10(7)14-11(15)9-5-16-6-13-9/h2-6H,1H3,(H,14,15).
What are the key properties of N-(2-chloro-6-methylphenyl)-1,3-thiazole-4-carboxamide?
N-(2-chloro-6-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 252.73 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66255718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).