3-(2-thiophen-2-ylsulfanylacetyl)-1,3-thiazolidine-4-carboxylic acid

C10H11NO3S3 — CID 43359412

IUPAC3-(2-thiophen-2-ylsulfanylacetyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)CSc1cccs1
InChIInChI=1S/C10H11NO3S3/c12-8(5-17-9-2-1-3-16-9)11-6-15-4-7(11)10(13)14/h1-3,7H,4-6H2,(H,13,14)
InChIKeyUECJETREWUYGJB-UHFFFAOYSA-N
MW289.40 g/mol
LogP1.83
Rot. Bonds4

About 3-(2-thiophen-2-ylsulfanylacetyl)-1,3-thiazolidine-4-carboxylic acid

3-(2-thiophen-2-ylsulfanylacetyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43359412) has the molecular formula C10H11NO3S3 and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-(2-thiophen-2-ylsulfanylacetyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-thiophen-2-ylsulfanylacetyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID43359412
Molecular FormulaC10H11NO3S3
Molecular Weight289.40 g/mol
Exact Mass288.99
IUPAC Name3-(2-thiophen-2-ylsulfanylacetyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)CSc1cccs1
InChIInChI=1S/C10H11NO3S3/c12-8(5-17-9-2-1-3-16-9)11-6-15-4-7(11)10(13)14/h1-3,7H,4-6H2,(H,13,14)
InChIKeyUECJETREWUYGJB-UHFFFAOYSA-N
XLogP1.83
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-thiophen-2-ylsulfanylacetyl)-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-(2-thiophen-2-ylsulfanylacetyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-thiophen-2-ylsulfanylacetyl)-1,3-thiazolidine-4-carboxylic acid (CID 43359412) is 3-(2-thiophen-2-ylsulfanylacetyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-thiophen-2-ylsulfanylacetyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-thiophen-2-ylsulfanylacetyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)CSc1cccs1.
What is the InChIKey of 3-(2-thiophen-2-ylsulfanylacetyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UECJETREWUYGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S3/c12-8(5-17-9-2-1-3-16-9)11-6-15-4-7(11)10(13)14/h1-3,7H,4-6H2,(H,13,14).
What are the key properties of 3-(2-thiophen-2-ylsulfanylacetyl)-1,3-thiazolidine-4-carboxylic acid?
3-(2-thiophen-2-ylsulfanylacetyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 289.40 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiophen-2-ylsulfanylacetyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43359412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).