3-[2-(3-acetylanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid

C15H16N2O3S — CID 82162009

IUPAC3-[2-(3-acetylanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid
SMILESCC(=O)c1cccc(Nc2nc(C)c(CCC(=O)O)s2)c1
InChIInChI=1S/C15H16N2O3S/c1-9-13(6-7-14(19)20)21-15(16-9)17-12-5-3-4-11(8-12)10(2)18/h3-5,8H,6-7H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyOPBDEQAHNXRPQZ-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.41
Rot. Bonds6

About 3-[2-(3-acetylanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid

3-[2-(3-acetylanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid (PubChem CID 82162009) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-[2-(3-acetylanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(3-acetylanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid
PubChem CID82162009
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name3-[2-(3-acetylanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid
SMILESCC(=O)c1cccc(Nc2nc(C)c(CCC(=O)O)s2)c1
InChIInChI=1S/C15H16N2O3S/c1-9-13(6-7-14(19)20)21-15(16-9)17-12-5-3-4-11(8-12)10(2)18/h3-5,8H,6-7H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyOPBDEQAHNXRPQZ-UHFFFAOYSA-N
XLogP3.41
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-(3-acetylanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid 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

3-[2-(3,4-dimethylanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 82161963
3-[4-methyl-2-(3-nitroanilino)-1,3-thiazol-5-yl]propanoic acid
CID 94777040
3-[2-(3-chloro-4-methylanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 94777032
3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)propanoic acid
CID 82058794
3-[4-methyl-2-(2-methylanilino)-1,3-thiazol-5-yl]propanoic acid
CID 82162004
3-[2-(4-chloro-3-nitroanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 82162000
3-[2-(2-chloroanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 82161959
3-[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]propanoic acid
CID 44818114
3-[4-methyl-2-(4-pyrrolidin-1-ylanilino)-1,3-thiazol-5-yl]propanoic acid
CID 82162027
3-[2-(4-iodo-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 82162042
3-[4-methyl-2-(2,3,4-trifluoroanilino)-1,3-thiazol-5-yl]propanoic acid
CID 94777043
3-[[5-(2-carboxyethyl)-4-methyl-1,3-thiazol-2-yl]methyl]benzoic acid
CID 82155097

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-acetylanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid?
The IUPAC name of 3-[2-(3-acetylanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid (CID 82162009) is 3-[2-(3-acetylanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-(3-acetylanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[2-(3-acetylanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid is CC(=O)c1cccc(Nc2nc(C)c(CCC(=O)O)s2)c1.
What is the InChIKey of 3-[2-(3-acetylanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid?
The InChIKey is OPBDEQAHNXRPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-9-13(6-7-14(19)20)21-15(16-9)17-12-5-3-4-11(8-12)10(2)18/h3-5,8H,6-7H2,1-2H3,(H,16,17)(H,19,20).
What are the key properties of 3-[2-(3-acetylanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid?
3-[2-(3-acetylanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid has a molecular weight of 304.37 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-acetylanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid is sourced from PubChem (CID 82162009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).