N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide

C24H18N2O3S — CID 982689

IUPACN-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C24H18N2O3S/c1-29-19-14-12-17(13-15-19)21(27)22-20(16-8-4-2-5-9-16)25-24(30-22)26-23(28)18-10-6-3-7-11-18/h2-15H,1H3,(H,25,26,28)
InChIKeyHXUJIGVGVYJAGZ-UHFFFAOYSA-N
MW414.49 g/mol
LogP5.30
Rot. Bonds6

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

N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide (PubChem CID 982689) has the molecular formula C24H18N2O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
PubChem CID982689
Molecular FormulaC24H18N2O3S
Molecular Weight414.49 g/mol
Exact Mass414.10
IUPAC NameN-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C24H18N2O3S/c1-29-19-14-12-17(13-15-19)21(27)22-20(16-8-4-2-5-9-16)25-24(30-22)26-23(28)18-10-6-3-7-11-18/h2-15H,1H3,(H,25,26,28)
InChIKeyHXUJIGVGVYJAGZ-UHFFFAOYSA-N
XLogP5.30
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.49
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
(4-Amino-2-((4-methoxyphenyl)amino)-1,3-thiazol-5-yl)(4-methoxyphenyl)methanone
CID 399618
(4-Amino-2-anilino-1,3-thiazol-5-yl)(4-methoxyphenyl)methanone
CID 399616
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
(4-Amino-2-anilino-1,3-thiazol-5-yl)(3,4-dimethoxyphenyl)methanone
CID 1512279
5-LOX inhibitor 2m [PMID: 30199704]
CID 134813912
[4-Amino-2-(Phenylamino)-1,3-Thiazol-5-Yl](3-Methoxyphenyl)methanone
CID 44250180
A1AR antagonist 3
CID 129834603
A1/A3 AR antagonist 2
CID 162673862
Methyl 2-(4-ethoxybenzamido)-4-methylthiazole-5-carboxylate
CID 1877175
Prop-2-enyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2138172

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide (CID 982689) is N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide is COc1ccc(C(=O)c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)cc1.
What is the InChIKey of N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is HXUJIGVGVYJAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3S/c1-29-19-14-12-17(13-15-19)21(27)22-20(16-8-4-2-5-9-16)25-24(30-22)26-23(28)18-10-6-3-7-11-18/h2-15H,1H3,(H,25,26,28).
What are the key properties of N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 414.49 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 982689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).