N-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide

C20H19N3O2S — CID 59369702

IUPACN-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)Cc2ccccc2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C20H19N3O2S/c1-14-18(19(25)21-13-16-10-6-3-7-11-16)26-20(22-14)23-17(24)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyXNDFTRNFNLLUBC-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.56
Rot. Bonds6

About N-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide

N-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 59369702) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID59369702
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)Cc2ccccc2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C20H19N3O2S/c1-14-18(19(25)21-13-16-10-6-3-7-11-16)26-20(22-14)23-17(24)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyXNDFTRNFNLLUBC-UHFFFAOYSA-N
XLogP3.56
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-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-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
N-mesityl-4-methyl-2-(3-phenylureido)thiazole-5-carboxamide
CID 16897096
4-methyl-2-[(methylcarbamoyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911406
2-[(benzylcarbamoyl)amino]-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911412
2-(Benzoylamino)-4-methyl-n-(2,4,6-trimethylphenyl)-5-thiazolecarboxamide
CID 21911517
2-acetamido-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911563
2-[(butylcarbamoyl)amino]-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21985432
Nvs-PI3-4
CID 23585510
4-methyl-N-[(2R)-2-methyl-3-oxo-3-[[(6S)-5-oxo-2,3,6,11-tetrahydro-1H-pyrazolo[1,2-b][2,3]benzodiazepin-6-yl]amino]propyl]-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxamide
CID 162759853
1-[2-(Benzylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 963386
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-phenylmethanone
CID 2814150
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-tert-butylbenzamide
CID 733782

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide (CID 59369702) is N-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)Cc2ccccc2)sc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is XNDFTRNFNLLUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-14-18(19(25)21-13-16-10-6-3-7-11-16)26-20(22-14)23-17(24)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of N-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide?
N-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59369702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).