N-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide

C18H15ClN2OS — CID 43854642

IUPACN-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(C)c(Cl)c2)c(-c2ccccc2)s1
InChIInChI=1S/C18H15ClN2OS/c1-11-8-9-14(10-15(11)19)21-18(22)16-17(23-12(2)20-16)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,21,22)
InChIKeyMXECEWDJHWBJOM-UHFFFAOYSA-N
MW342.85 g/mol
LogP5.33
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide

N-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 43854642) has the molecular formula C18H15ClN2OS and a molecular weight of 342.85 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
PubChem CID43854642
Molecular FormulaC18H15ClN2OS
Molecular Weight342.85 g/mol
Exact Mass342.06
IUPAC NameN-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(C)c(Cl)c2)c(-c2ccccc2)s1
InChIInChI=1S/C18H15ClN2OS/c1-11-8-9-14(10-15(11)19)21-18(22)16-17(23-12(2)20-16)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,21,22)
InChIKeyMXECEWDJHWBJOM-UHFFFAOYSA-N
XLogP5.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.85
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 43854702
2-methyl-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 43854625
2-methyl-5-phenyl-N-(4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
CID 43854628
2-chloro-5-[(2-cyclopropyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoic acid
CID 143452097
1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea
CID 108866984
2-methyl-5-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)-1,3-thiazole-4-carboxamide
CID 43854828
N-(3-chloro-4-methylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648629
6-N-(3-chloro-4-methylphenyl)-2-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109100769
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 3386636
N-(3-chloro-4-methoxyphenyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 9083062
N-(3-chloro-4-methylphenyl)-3-fluoropyridine-2-carboxamide
CID 110474858
N-(3-chloro-4-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 3279592

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide (CID 43854642) is N-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc(C)c(Cl)c2)c(-c2ccccc2)s1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is MXECEWDJHWBJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2OS/c1-11-8-9-14(10-15(11)19)21-18(22)16-17(23-12(2)20-16)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,21,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
N-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 342.85 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 43854642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).