2-(4-acetamidophenyl)-N-tert-butyl-5-methyl-1,3-thiazole-4-carboxamide

C17H21N3O2S — CID 110342387

IUPAC2-(4-acetamidophenyl)-N-tert-butyl-5-methyl-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2nc(C(=O)NC(C)(C)C)c(C)s2)cc1
InChIInChI=1S/C17H21N3O2S/c1-10-14(15(22)20-17(3,4)5)19-16(23-10)12-6-8-13(9-7-12)18-11(2)21/h6-9H,1-5H3,(H,18,21)(H,20,22)
InChIKeyLXADFKWZVBYYHA-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.61
Rot. Bonds3

About 2-(4-acetamidophenyl)-N-tert-butyl-5-methyl-1,3-thiazole-4-carboxamide

2-(4-acetamidophenyl)-N-tert-butyl-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 110342387) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-tert-butyl-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-tert-butyl-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID110342387
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-(4-acetamidophenyl)-N-tert-butyl-5-methyl-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2nc(C(=O)NC(C)(C)C)c(C)s2)cc1
InChIInChI=1S/C17H21N3O2S/c1-10-14(15(22)20-17(3,4)5)19-16(23-10)12-6-8-13(9-7-12)18-11(2)21/h6-9H,1-5H3,(H,18,21)(H,20,22)
InChIKeyLXADFKWZVBYYHA-UHFFFAOYSA-N
XLogP3.61
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-acetamidophenyl)-N-tert-butyl-5-methyl-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

2-(4-acetamidophenyl)-5-methyl-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide
CID 110342389
2-(4-acetamidophenyl)-5-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 110342379
2-(4-acetamidophenyl)-N,N-diethyl-5-methyl-1,3-thiazole-4-carboxamide
CID 110342385
2-(4-acetamidophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 110342355
N-tert-butyl-5-(tert-butylamino)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 177473775
2,2,2-trifluoro-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108769917
5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 15623088
N-(4-acetamidophenyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696392
N-[4-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356378
3-chloro-2,2-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108769918
4-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108769922
N-[4-[2-(2-methoxyethylamino)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356331

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-tert-butyl-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-tert-butyl-5-methyl-1,3-thiazole-4-carboxamide (CID 110342387) is 2-(4-acetamidophenyl)-N-tert-butyl-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-tert-butyl-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-tert-butyl-5-methyl-1,3-thiazole-4-carboxamide is CC(=O)Nc1ccc(-c2nc(C(=O)NC(C)(C)C)c(C)s2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-tert-butyl-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is LXADFKWZVBYYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-10-14(15(22)20-17(3,4)5)19-16(23-10)12-6-8-13(9-7-12)18-11(2)21/h6-9H,1-5H3,(H,18,21)(H,20,22).
What are the key properties of 2-(4-acetamidophenyl)-N-tert-butyl-5-methyl-1,3-thiazole-4-carboxamide?
2-(4-acetamidophenyl)-N-tert-butyl-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-tert-butyl-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110342387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).