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

C24H18N2O2S — CID 7920283

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
SMILESCC(=O)c1sc(NC(=O)c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1
InChIInChI=1S/C24H18N2O2S/c1-16(27)22-21(19-10-6-3-7-11-19)25-24(29-22)26-23(28)20-14-12-18(13-15-20)17-8-4-2-5-9-17/h2-15H,1H3,(H,25,26,28)
InChIKeyLAXOYLJWUMVWSO-UHFFFAOYSA-N
MW398.49 g/mol
LogP5.93
Rot. Bonds5

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

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide (PubChem CID 7920283) has the molecular formula C24H18N2O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
PubChem CID7920283
Molecular FormulaC24H18N2O2S
Molecular Weight398.49 g/mol
Exact Mass398.11
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
SMILESCC(=O)c1sc(NC(=O)c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1
InChIInChI=1S/C24H18N2O2S/c1-16(27)22-21(19-10-6-3-7-11-19)25-24(29-22)26-23(28)20-14-12-18(13-15-20)17-8-4-2-5-9-17/h2-15H,1H3,(H,25,26,28)
InChIKeyLAXOYLJWUMVWSO-UHFFFAOYSA-N
XLogP5.93
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.49
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide
CID 7920269
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(difluoromethylsulfonyl)benzamide
CID 26196494
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)benzamide
CID 8918344
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dimethoxybenzamide
CID 3540513
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-fluorobenzamide
CID 8918479
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
2-benzamido-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide
CID 58121091
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 3540280
N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 26196521
N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 126057357
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 40852738

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide (CID 7920283) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide is CC(=O)c1sc(NC(=O)c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide?
The InChIKey is LAXOYLJWUMVWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2S/c1-16(27)22-21(19-10-6-3-7-11-19)25-24(29-22)26-23(28)20-14-12-18(13-15-20)17-8-4-2-5-9-17/h2-15H,1H3,(H,25,26,28).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide has a molecular weight of 398.49 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide is sourced from PubChem (CID 7920283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).