N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]-4-methoxybenzamide

C24H17ClN2O3S — CID 162673838

IUPACN-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C24H17ClN2O3S/c1-30-19-13-9-17(10-14-19)23(29)27-24-26-20(15-5-3-2-4-6-15)22(31-24)21(28)16-7-11-18(25)12-8-16/h2-14H,1H3,(H,26,27,29)
InChIKeyLCYONGDAANJLPY-UHFFFAOYSA-N
MW448.93 g/mol
LogP5.96
Rot. Bonds6

About N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]-4-methoxybenzamide

N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]-4-methoxybenzamide (PubChem CID 162673838) has the molecular formula C24H17ClN2O3S and a molecular weight of 448.93 g/mol. Its IUPAC name is N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]-4-methoxybenzamide
PubChem CID162673838
Molecular FormulaC24H17ClN2O3S
Molecular Weight448.93 g/mol
Exact Mass448.06
IUPAC NameN-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C24H17ClN2O3S/c1-30-19-13-9-17(10-14-19)23(29)27-24-26-20(15-5-3-2-4-6-15)22(31-24)21(28)16-7-11-18(25)12-8-16/h2-14H,1H3,(H,26,27,29)
InChIKeyLCYONGDAANJLPY-UHFFFAOYSA-N
XLogP5.96
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.93
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
5-LOX inhibitor 2m [PMID: 30199704]
CID 134813912
A1AR antagonist 3
CID 129834603
Prop-2-enyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2138172
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone
CID 2814831
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2,4-dimethoxybenzamide
CID 5110663
[4-Amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl](4-chlorophenyl)methanone
CID 399617
N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 982689
4-Chloro-N-(6-methoxy-8H-indeno[1,2-d]thiazol-2-yl)benzamide
CID 1078725
4-methoxy-N-[4-(4-methoxyphenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 1380986
4-methoxy-N-[4-(4-nitrophenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 2275562
2-(4-acetylphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 2671505

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]-4-methoxybenzamide (CID 162673838) is N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccc(Cl)cc3)s2)cc1.
What is the InChIKey of N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]-4-methoxybenzamide?
The InChIKey is LCYONGDAANJLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O3S/c1-30-19-13-9-17(10-14-19)23(29)27-24-26-20(15-5-3-2-4-6-15)22(31-24)21(28)16-7-11-18(25)12-8-16/h2-14H,1H3,(H,26,27,29).
What are the key properties of N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]-4-methoxybenzamide?
N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]-4-methoxybenzamide has a molecular weight of 448.93 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 162673838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).