N-(4-acetylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide

C20H17N3O3S — CID 84550613

IUPACN-(4-acetylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2csc(NC(=O)Cc3ccccc3)n2)cc1
InChIInChI=1S/C20H17N3O3S/c1-13(24)15-7-9-16(10-8-15)21-19(26)17-12-27-20(22-17)23-18(25)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,21,26)(H,22,23,25)
InChIKeyDPXKZVMHZGIDRX-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.78
Rot. Bonds6

About N-(4-acetylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide

N-(4-acetylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 84550613) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID84550613
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC NameN-(4-acetylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2csc(NC(=O)Cc3ccccc3)n2)cc1
InChIInChI=1S/C20H17N3O3S/c1-13(24)15-7-9-16(10-8-15)21-19(26)17-12-27-20(22-17)23-18(25)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,21,26)(H,22,23,25)
InChIKeyDPXKZVMHZGIDRX-UHFFFAOYSA-N
XLogP3.78
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-acetylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide 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

N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84560120
N-(3,5-dimethoxyphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550844
ethyl 4-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]amino]benzoate
CID 84550864
N-(2-hydroxyethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555751
N-(4-hydroxy-2-methylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550687
N-(2-bromophenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550682
2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 16915429
2-[(2-phenylacetyl)amino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 84555769
2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 84550859
methyl 2-[[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 84550709
N-(4-acetylphenyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62787747
4-[[2-(2-methylpropanoylamino)-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 39164401

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide (CID 84550613) is N-(4-acetylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide is CC(=O)c1ccc(NC(=O)c2csc(NC(=O)Cc3ccccc3)n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is DPXKZVMHZGIDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-13(24)15-7-9-16(10-8-15)21-19(26)17-12-27-20(22-17)23-18(25)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,21,26)(H,22,23,25).
What are the key properties of N-(4-acetylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide?
N-(4-acetylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 84550613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).