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

C12H11N3O2S — CID 62787747

IUPACN-(4-acetylphenyl)-2-amino-1,3-thiazole-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2csc(N)n2)cc1
InChIInChI=1S/C12H11N3O2S/c1-7(16)8-2-4-9(5-3-8)14-11(17)10-6-18-12(13)15-10/h2-6H,1H3,(H2,13,15)(H,14,17)
InChIKeyCIUVBJVKYQJGNQ-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.18
Rot. Bonds3

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

N-(4-acetylphenyl)-2-amino-1,3-thiazole-4-carboxamide (PubChem CID 62787747) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-amino-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-amino-1,3-thiazole-4-carboxamide
PubChem CID62787747
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC NameN-(4-acetylphenyl)-2-amino-1,3-thiazole-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2csc(N)n2)cc1
InChIInChI=1S/C12H11N3O2S/c1-7(16)8-2-4-9(5-3-8)14-11(17)10-6-18-12(13)15-10/h2-6H,1H3,(H2,13,15)(H,14,17)
InChIKeyCIUVBJVKYQJGNQ-UHFFFAOYSA-N
XLogP2.18
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-acetylphenyl)-2-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

2-amino-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788909
2-amino-N-(4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62788018
2-[4-[(2-amino-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid
CID 62786875
N-(4-acetylphenyl)-4-aminopyridine-2-carboxamide
CID 82299178
2-amino-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55119460
2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62787701
N-(4-acetylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506196
2-amino-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62787524
2-amino-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62788368
2-amino-N-(6-bromonaphthalen-2-yl)-1,3-thiazole-4-carboxamide
CID 81259724
1-(2-amino-1,3-thiazol-4-yl)ethanone
CID 3111964
N-(4-acetylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550613

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-amino-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-amino-1,3-thiazole-4-carboxamide (CID 62787747) is N-(4-acetylphenyl)-2-amino-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-amino-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-amino-1,3-thiazole-4-carboxamide is CC(=O)c1ccc(NC(=O)c2csc(N)n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-amino-1,3-thiazole-4-carboxamide?
The InChIKey is CIUVBJVKYQJGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-7(16)8-2-4-9(5-3-8)14-11(17)10-6-18-12(13)15-10/h2-6H,1H3,(H2,13,15)(H,14,17).
What are the key properties of N-(4-acetylphenyl)-2-amino-1,3-thiazole-4-carboxamide?
N-(4-acetylphenyl)-2-amino-1,3-thiazole-4-carboxamide has a molecular weight of 261.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-amino-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62787747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).