3-acetyl-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid

C10H11NO3S2 — CID 2731624

IUPAC3-acetyl-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(=O)N1C(C(=O)O)CSC1c1cccs1
InChIInChI=1S/C10H11NO3S2/c1-6(12)11-7(10(13)14)5-16-9(11)8-3-2-4-15-8/h2-4,7,9H,5H2,1H3,(H,13,14)
InChIKeyCGCQMZDLCKBMDU-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.80
Rot. Bonds2

About 3-acetyl-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid

3-acetyl-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 2731624) has the molecular formula C10H11NO3S2 and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-acetyl-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-acetyl-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID2731624
Molecular FormulaC10H11NO3S2
Molecular Weight257.34 g/mol
Exact Mass257.02
IUPAC Name3-acetyl-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(=O)N1C(C(=O)O)CSC1c1cccs1
InChIInChI=1S/C10H11NO3S2/c1-6(12)11-7(10(13)14)5-16-9(11)8-3-2-4-15-8/h2-4,7,9H,5H2,1H3,(H,13,14)
InChIKeyCGCQMZDLCKBMDU-UHFFFAOYSA-N
XLogP1.80
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-acetyl-2-thiophen-2-yl-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-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-acetyl-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid (CID 2731624) is 3-acetyl-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-acetyl-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-acetyl-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid is CC(=O)N1C(C(=O)O)CSC1c1cccs1.
What is the InChIKey of 3-acetyl-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is CGCQMZDLCKBMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S2/c1-6(12)11-7(10(13)14)5-16-9(11)8-3-2-4-15-8/h2-4,7,9H,5H2,1H3,(H,13,14).
What are the key properties of 3-acetyl-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid?
3-acetyl-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 257.34 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 2731624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).