4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide

C23H17ClN2OS — CID 2832302

IUPAC4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(-c2nc(NC(=O)c3ccc(Cl)cc3)sc2-c2ccccc2)cc1
InChIInChI=1S/C23H17ClN2OS/c1-15-7-9-16(10-8-15)20-21(17-5-3-2-4-6-17)28-23(25-20)26-22(27)18-11-13-19(24)14-12-18/h2-14H,1H3,(H,25,26,27)
InChIKeySDJLSPVEYMJEHB-UHFFFAOYSA-N
MW404.92 g/mol
LogP6.69
Rot. Bonds4

About 4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide

4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide (PubChem CID 2832302) has the molecular formula C23H17ClN2OS and a molecular weight of 404.92 g/mol. Its IUPAC name is 4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
PubChem CID2832302
Molecular FormulaC23H17ClN2OS
Molecular Weight404.92 g/mol
Exact Mass404.08
IUPAC Name4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(-c2nc(NC(=O)c3ccc(Cl)cc3)sc2-c2ccccc2)cc1
InChIInChI=1S/C23H17ClN2OS/c1-15-7-9-16(10-8-15)20-21(17-5-3-2-4-6-17)28-23(25-20)26-22(27)18-11-13-19(24)14-12-18/h2-14H,1H3,(H,25,26,27)
InChIKeySDJLSPVEYMJEHB-UHFFFAOYSA-N
XLogP6.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.92
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 1207301
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 126057357
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 4274612
N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide
CID 23889740
2,5-dichloro-N-(4,5-diphenyl-1,3-thiazol-2-yl)benzamide
CID 4307755
N-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 2257051
N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-fluorobenzamide
CID 3914238
2-cyano-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 146189979
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283
4-chloro-N-[5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 22912237
4-acetamido-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 9094369

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide (CID 2832302) is 4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide is Cc1ccc(-c2nc(NC(=O)c3ccc(Cl)cc3)sc2-c2ccccc2)cc1.
What is the InChIKey of 4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is SDJLSPVEYMJEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2OS/c1-15-7-9-16(10-8-15)20-21(17-5-3-2-4-6-17)28-23(25-20)26-22(27)18-11-13-19(24)14-12-18/h2-14H,1H3,(H,25,26,27).
What are the key properties of 4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide?
4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 404.92 g/mol, XLogP of 6.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 2832302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).