N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide

C28H20N2OS — CID 4107144

IUPACN-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
SMILESO=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H20N2OS/c31-27(24-18-16-21(17-19-24)20-10-4-1-5-11-20)30-28-29-25(22-12-6-2-7-13-22)26(32-28)23-14-8-3-9-15-23/h1-19H,(H,29,30,31)
InChIKeyXORIRLKWZBYXRB-UHFFFAOYSA-N
MW432.55 g/mol
LogP7.40
Rot. Bonds5

About N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide

N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide (PubChem CID 4107144) has the molecular formula C28H20N2OS and a molecular weight of 432.55 g/mol. Its IUPAC name is N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
PubChem CID4107144
Molecular FormulaC28H20N2OS
Molecular Weight432.55 g/mol
Exact Mass432.13
IUPAC NameN-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
SMILESO=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H20N2OS/c31-27(24-18-16-21(17-19-24)20-10-4-1-5-11-20)30-28-29-25(22-12-6-2-7-13-22)26(32-28)23-14-8-3-9-15-23/h1-19H,(H,29,30,31)
InChIKeyXORIRLKWZBYXRB-UHFFFAOYSA-N
XLogP7.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 126057357
4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 1207301
4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 2832302
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 46300054
azane;dichloroplatinum;N-[4-(3,4-dihydroxyphenyl)-5-phenyl-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide
CID 91938039
3-bromo-N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 126060473
2-benzamido-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide
CID 58121091
methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate
CID 1244319
4-[bis(2-cyanoethyl)sulfamoyl]-N-(4,5-diphenyl-1,3-thiazol-2-yl)benzamide
CID 5140057
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide
CID 7920269

Frequently Asked Questions

What is the IUPAC name of N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide?
The IUPAC name of N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide (CID 4107144) is N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide.
What is the SMILES notation for N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide?
The canonical SMILES for N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide is O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide?
The InChIKey is XORIRLKWZBYXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2OS/c31-27(24-18-16-21(17-19-24)20-10-4-1-5-11-20)30-28-29-25(22-12-6-2-7-13-22)26(32-28)23-14-8-3-9-15-23/h1-19H,(H,29,30,31).
What are the key properties of N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide?
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide has a molecular weight of 432.55 g/mol, XLogP of 7.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide is sourced from PubChem (CID 4107144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).