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

C23H16ClN3O2S — CID 46300012

IUPACN-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-2-chlorobenzamide
SMILESO=C(Nc1sc(NC(=O)c2ccccc2Cl)nc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C23H16ClN3O2S/c24-18-14-8-7-13-17(18)21(29)27-23-25-19(15-9-3-1-4-10-15)22(30-23)26-20(28)16-11-5-2-6-12-16/h1-14H,(H,26,28)(H,25,27,29)
InChIKeyHUPPOMGAIDUKRK-UHFFFAOYSA-N
MW433.92 g/mol
LogP5.97
Rot. Bonds5

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

N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-2-chlorobenzamide (PubChem CID 46300012) has the molecular formula C23H16ClN3O2S and a molecular weight of 433.92 g/mol. Its IUPAC name is N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-2-chlorobenzamide
PubChem CID46300012
Molecular FormulaC23H16ClN3O2S
Molecular Weight433.92 g/mol
Exact Mass433.07
IUPAC NameN-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-2-chlorobenzamide
SMILESO=C(Nc1sc(NC(=O)c2ccccc2Cl)nc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C23H16ClN3O2S/c24-18-14-8-7-13-17(18)21(29)27-23-25-19(15-9-3-1-4-10-15)22(30-23)26-20(28)16-11-5-2-6-12-16/h1-14H,(H,26,28)(H,25,27,29)
InChIKeyHUPPOMGAIDUKRK-UHFFFAOYSA-N
XLogP5.97
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.92
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 46300054
N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide
CID 23889740
N-[5-[(4-chlorobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 34306834
N-[2-[(2-phenoxyacetyl)amino]-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 46300029
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 46300079
2-chloro-N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]benzamide;1,4-dioxane
CID 45128836
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 4274612
methyl N-[5-[(2-bromobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065385
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-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
CID 46300005

Frequently Asked Questions

What is the IUPAC name of N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-2-chlorobenzamide?
The IUPAC name of N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-2-chlorobenzamide (CID 46300012) is N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-2-chlorobenzamide.
What is the SMILES notation for N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-2-chlorobenzamide?
The canonical SMILES for N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-2-chlorobenzamide is O=C(Nc1sc(NC(=O)c2ccccc2Cl)nc1-c1ccccc1)c1ccccc1.
What is the InChIKey of N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-2-chlorobenzamide?
The InChIKey is HUPPOMGAIDUKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O2S/c24-18-14-8-7-13-17(18)21(29)27-23-25-19(15-9-3-1-4-10-15)22(30-23)26-20(28)16-11-5-2-6-12-16/h1-14H,(H,26,28)(H,25,27,29).
What are the key properties of N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-2-chlorobenzamide?
N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-2-chlorobenzamide has a molecular weight of 433.92 g/mol, XLogP of 5.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-2-chlorobenzamide is sourced from PubChem (CID 46300012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).