2-(2-anilino-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide

C17H21N3O2S — CID 53169008

IUPAC2-(2-anilino-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(=O)Nc2ccccc2)sc1C(=O)NCC(C)C
InChIInChI=1S/C17H21N3O2S/c1-11(2)10-18-17(22)16-12(3)19-15(23-16)9-14(21)20-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyJPJZEUHEIZQNNO-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.02
Rot. Bonds6

About 2-(2-anilino-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide

2-(2-anilino-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 53169008) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(2-anilino-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-anilino-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID53169008
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-(2-anilino-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(=O)Nc2ccccc2)sc1C(=O)NCC(C)C
InChIInChI=1S/C17H21N3O2S/c1-11(2)10-18-17(22)16-12(3)19-15(23-16)9-14(21)20-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyJPJZEUHEIZQNNO-UHFFFAOYSA-N
XLogP3.02
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-anilino-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-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

2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 53169023
2-(2-anilino-2-oxoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154722
2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 14222582
2-(2-hydrazinyl-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 126422555
2-[2-(benzylamino)-2-oxoethyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 9233075
2-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 53169012
4-methyl-2-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazole-5-carboxylic acid
CID 9154346
4-methyl-2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid
CID 82154723
4-methyl-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 9154423
2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-benzylacetamide
CID 9232883
2-benzyl-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 39084160
2-[2-(3-chloroanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 53169176

Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-anilino-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide (CID 53169008) is 2-(2-anilino-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-anilino-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-anilino-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide is Cc1nc(CC(=O)Nc2ccccc2)sc1C(=O)NCC(C)C.
What is the InChIKey of 2-(2-anilino-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is JPJZEUHEIZQNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-11(2)10-18-17(22)16-12(3)19-15(23-16)9-14(21)20-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,18,22)(H,20,21).
What are the key properties of 2-(2-anilino-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
2-(2-anilino-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53169008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).