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

C23H15ClN2O2S — CID 4274612

IUPACN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide
SMILESO=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C23H15ClN2O2S/c24-18-13-11-17(12-14-18)22(28)26-23-25-19(15-7-3-1-4-8-15)21(29-23)20(27)16-9-5-2-6-10-16/h1-14H,(H,25,26,28)
InChIKeyIABINRHFZHCACE-UHFFFAOYSA-N
MW418.91 g/mol
LogP5.95
Rot. Bonds5

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

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide (PubChem CID 4274612) has the molecular formula C23H15ClN2O2S and a molecular weight of 418.91 g/mol. Its IUPAC name is N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide
PubChem CID4274612
Molecular FormulaC23H15ClN2O2S
Molecular Weight418.91 g/mol
Exact Mass418.05
IUPAC NameN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide
SMILESO=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C23H15ClN2O2S/c24-18-13-11-17(12-14-18)22(28)26-23-25-19(15-7-3-1-4-8-15)21(29-23)20(27)16-9-5-2-6-10-16/h1-14H,(H,25,26,28)
InChIKeyIABINRHFZHCACE-UHFFFAOYSA-N
XLogP5.95
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.91
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide
CID 5048055
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-ethylsulfonylbenzamide
CID 41044546
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(diethylamino)benzamide
CID 4682991
4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 2832302
2-benzamido-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide
CID 58121091
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 44994230
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 112812503
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide
CID 5203607
N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide
CID 23889740
2-[2-benzamido-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200227

Frequently Asked Questions

What is the IUPAC name of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide?
The IUPAC name of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide (CID 4274612) is N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide.
What is the SMILES notation for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide?
The canonical SMILES for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide is O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccc(Cl)cc1.
What is the InChIKey of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide?
The InChIKey is IABINRHFZHCACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN2O2S/c24-18-13-11-17(12-14-18)22(28)26-23-25-19(15-7-3-1-4-8-15)21(29-23)20(27)16-9-5-2-6-10-16/h1-14H,(H,25,26,28).
What are the key properties of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide?
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide has a molecular weight of 418.91 g/mol, XLogP of 5.95, 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)-4-chlorobenzamide is sourced from PubChem (CID 4274612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).