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

C11H9ClN2OS — CID 62045477

IUPACN-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cscn1
InChIInChI=1S/C11H9ClN2OS/c1-7-4-8(12)2-3-9(7)14-11(15)10-5-16-6-13-10/h2-6H,1H3,(H,14,15)
InChIKeyBNJJCLITQAEKAG-UHFFFAOYSA-N
MW252.73 g/mol
LogP3.36
Rot. Bonds2

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

N-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 62045477) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID62045477
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC NameN-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cscn1
InChIInChI=1S/C11H9ClN2OS/c1-7-4-8(12)2-3-9(7)14-11(15)10-5-16-6-13-10/h2-6H,1H3,(H,14,15)
InChIKeyBNJJCLITQAEKAG-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-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 123465393
N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 62045147
6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427229
N-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696195
N-(2-amino-4-bromophenyl)-1,3-thiazole-4-carboxamide
CID 63024055
N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 62046847
N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 62045312
6-chloro-N-(4-chloro-2-methylphenyl)pyrazine-2-carboxamide
CID 103336937
N-(4-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110859165
N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
CID 100708233
N-(5-amino-2-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 104814470
N-(4-chloro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 18148116

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide (CID 62045477) is N-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1cscn1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BNJJCLITQAEKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c1-7-4-8(12)2-3-9(7)14-11(15)10-5-16-6-13-10/h2-6H,1H3,(H,14,15).
What are the key properties of N-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide?
N-(4-chloro-2-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-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62045477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).