N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide

C23H16N2O2S — CID 981611

IUPACN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccccc1
InChIInChI=1S/C23H16N2O2S/c26-20(17-12-6-2-7-13-17)21-19(16-10-4-1-5-11-16)24-23(28-21)25-22(27)18-14-8-3-9-15-18/h1-15H,(H,24,25,27)
InChIKeyPCQHQQZQXRSVDE-UHFFFAOYSA-N
MW384.46 g/mol
LogP5.29
Rot. Bonds5

About N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 981611) has the molecular formula C23H16N2O2S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID981611
Molecular FormulaC23H16N2O2S
Molecular Weight384.46 g/mol
Exact Mass384.09
IUPAC NameN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccccc1
InChIInChI=1S/C23H16N2O2S/c26-20(17-12-6-2-7-13-17)21-19(16-10-4-1-5-11-16)24-23(28-21)25-22(27)18-14-8-3-9-15-18/h1-15H,(H,24,25,27)
InChIKeyPCQHQQZQXRSVDE-UHFFFAOYSA-N
XLogP5.29
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.46
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide (CID 981611) is N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccccc1.
What is the InChIKey of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is PCQHQQZQXRSVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O2S/c26-20(17-12-6-2-7-13-17)21-19(16-10-4-1-5-11-16)24-23(28-21)25-22(27)18-14-8-3-9-15-18/h1-15H,(H,24,25,27).
What are the key properties of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide?
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 384.46 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 981611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).