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

C17H13ClN2OS — CID 850698

IUPAC2-chloro-N-(4-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2sc(Cl)nc2-c2ccccc2)cc1
InChIInChI=1S/C17H13ClN2OS/c1-11-7-9-13(10-8-11)19-16(21)15-14(20-17(18)22-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,21)
InChIKeyWLRKKHCJSNWQEU-UHFFFAOYSA-N
MW328.82 g/mol
LogP5.02
Rot. Bonds3

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

2-chloro-N-(4-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 850698) has the molecular formula C17H13ClN2OS and a molecular weight of 328.82 g/mol. Its IUPAC name is 2-chloro-N-(4-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID850698
Molecular FormulaC17H13ClN2OS
Molecular Weight328.82 g/mol
Exact Mass328.04
IUPAC Name2-chloro-N-(4-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2sc(Cl)nc2-c2ccccc2)cc1
InChIInChI=1S/C17H13ClN2OS/c1-11-7-9-13(10-8-11)19-16(21)15-14(20-17(18)22-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,21)
InChIKeyWLRKKHCJSNWQEU-UHFFFAOYSA-N
XLogP5.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.82
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-2-Phenyl-1,3-Thiazole-5-Carboxamide
CID 737887
3-[2-(4-Amino-phenyl)-thiazol-4-yl]-1H-quinolin-2-one
CID 10149743
4-Methyl-2-phenyl-N-(4-sulfamoylphenyl)thiazole-5-carboxamide
CID 2814179
2-amino-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 939967
2-Chloro-4-Methyl-N-(Naphthalen-2-Yl)-1,3-Thiazole-5-Carboxamide
CID 850573
N-(4-tert-butylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 11617549
N-[4-(propan-2-yl)phenyl]-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644838
N-(2-fluoro-4-methylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644852
3-(2-Phenyl-1,3-thiazol-4-yl)-1,2-dihydroquinolin-2-one
CID 22638512
N-(3-fluoro-4-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2548953
N-(3-acetylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide
CID 850553
N-(4-tert-butylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide
CID 850571

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-chloro-N-(4-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide (CID 850698) is 2-chloro-N-(4-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-chloro-N-(4-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide is Cc1ccc(NC(=O)c2sc(Cl)nc2-c2ccccc2)cc1.
What is the InChIKey of 2-chloro-N-(4-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is WLRKKHCJSNWQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2OS/c1-11-7-9-13(10-8-11)19-16(21)15-14(20-17(18)22-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,21).
What are the key properties of 2-chloro-N-(4-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
2-chloro-N-(4-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 328.82 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 850698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).