3-acetyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

C13H15NO4S — CID 2827732

IUPAC3-acetyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccc(C2SCC(C(=O)O)N2C(C)=O)cc1
InChIInChI=1S/C13H15NO4S/c1-8(15)14-11(13(16)17)7-19-12(14)9-3-5-10(18-2)6-4-9/h3-6,11-12H,7H2,1-2H3,(H,16,17)
InChIKeyHMYDLHFCLSTJNZ-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.74
Rot. Bonds3

About 3-acetyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

3-acetyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 2827732) has the molecular formula C13H15NO4S and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-acetyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-acetyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID2827732
Molecular FormulaC13H15NO4S
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC Name3-acetyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccc(C2SCC(C(=O)O)N2C(C)=O)cc1
InChIInChI=1S/C13H15NO4S/c1-8(15)14-11(13(16)17)7-19-12(14)9-3-5-10(18-2)6-4-9/h3-6,11-12H,7H2,1-2H3,(H,16,17)
InChIKeyHMYDLHFCLSTJNZ-UHFFFAOYSA-N
XLogP1.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-acetyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-acetyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid (CID 2827732) is 3-acetyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-acetyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-acetyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid is COc1ccc(C2SCC(C(=O)O)N2C(C)=O)cc1.
What is the InChIKey of 3-acetyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HMYDLHFCLSTJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S/c1-8(15)14-11(13(16)17)7-19-12(14)9-3-5-10(18-2)6-4-9/h3-6,11-12H,7H2,1-2H3,(H,16,17).
What are the key properties of 3-acetyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
3-acetyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 281.33 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 2827732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).