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

C23H17N3O2S — CID 46300054

IUPACN-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1)c1ccccc1
InChIInChI=1S/C23H17N3O2S/c27-20(17-12-6-2-7-13-17)25-22-19(16-10-4-1-5-11-16)24-23(29-22)26-21(28)18-14-8-3-9-15-18/h1-15H,(H,25,27)(H,24,26,28)
InChIKeyZHPDEHAPHRTXAU-UHFFFAOYSA-N
MW399.48 g/mol
LogP5.31
Rot. Bonds5

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

N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide (PubChem CID 46300054) has the molecular formula C23H17N3O2S and a molecular weight of 399.48 g/mol. Its IUPAC name is N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
PubChem CID46300054
Molecular FormulaC23H17N3O2S
Molecular Weight399.48 g/mol
Exact Mass399.10
IUPAC NameN-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1)c1ccccc1
InChIInChI=1S/C23H17N3O2S/c27-20(17-12-6-2-7-13-17)25-22-19(16-10-4-1-5-11-16)24-23(29-22)26-21(28)18-14-8-3-9-15-18/h1-15H,(H,25,27)(H,24,26,28)
InChIKeyZHPDEHAPHRTXAU-UHFFFAOYSA-N
XLogP5.31
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.48
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-2-chlorobenzamide
CID 46300012
N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide
CID 23889740
N-[2-[(2-phenoxyacetyl)amino]-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 46300029
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
N-[5-[(4-chlorobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 34306834
N-[2-benzamido-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 39868533
2-benzamido-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide
CID 58121091
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
CID 46300005
ethyl N-[5-[(3-methylbenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065509
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 46300079
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide?
The IUPAC name of N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide (CID 46300054) is N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide?
The canonical SMILES for N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide is O=C(Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1)c1ccccc1.
What is the InChIKey of N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide?
The InChIKey is ZHPDEHAPHRTXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2S/c27-20(17-12-6-2-7-13-17)25-22-19(16-10-4-1-5-11-16)24-23(29-22)26-21(28)18-14-8-3-9-15-18/h1-15H,(H,25,27)(H,24,26,28).
What are the key properties of N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide?
N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide has a molecular weight of 399.48 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 46300054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).