5,5-dimethyl-2-(5-thiophen-3-yl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid

C13H14N2O2S3 — CID 53273860

IUPAC5,5-dimethyl-2-(5-thiophen-3-yl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)SC(c2ncc(-c3ccsc3)s2)NC1C(=O)O
InChIInChI=1S/C13H14N2O2S3/c1-13(2)9(12(16)17)15-11(20-13)10-14-5-8(19-10)7-3-4-18-6-7/h3-6,9,11,15H,1-2H3,(H,16,17)
InChIKeyKCUVUPYICIKGDJ-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.44
Rot. Bonds3

About 5,5-dimethyl-2-(5-thiophen-3-yl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid

5,5-dimethyl-2-(5-thiophen-3-yl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 53273860) has the molecular formula C13H14N2O2S3 and a molecular weight of 326.47 g/mol. Its IUPAC name is 5,5-dimethyl-2-(5-thiophen-3-yl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name5,5-dimethyl-2-(5-thiophen-3-yl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID53273860
Molecular FormulaC13H14N2O2S3
Molecular Weight326.47 g/mol
Exact Mass326.02
IUPAC Name5,5-dimethyl-2-(5-thiophen-3-yl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)SC(c2ncc(-c3ccsc3)s2)NC1C(=O)O
InChIInChI=1S/C13H14N2O2S3/c1-13(2)9(12(16)17)15-11(20-13)10-14-5-8(19-10)7-3-4-18-6-7/h3-6,9,11,15H,1-2H3,(H,16,17)
InChIKeyKCUVUPYICIKGDJ-UHFFFAOYSA-N
XLogP3.44
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5,5-dimethyl-2-(5-thiophen-3-yl-1,3-thiazol-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 5,5-dimethyl-2-(5-thiophen-3-yl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 5,5-dimethyl-2-(5-thiophen-3-yl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid (CID 53273860) is 5,5-dimethyl-2-(5-thiophen-3-yl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 5,5-dimethyl-2-(5-thiophen-3-yl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 5,5-dimethyl-2-(5-thiophen-3-yl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid is CC1(C)SC(c2ncc(-c3ccsc3)s2)NC1C(=O)O.
What is the InChIKey of 5,5-dimethyl-2-(5-thiophen-3-yl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is KCUVUPYICIKGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S3/c1-13(2)9(12(16)17)15-11(20-13)10-14-5-8(19-10)7-3-4-18-6-7/h3-6,9,11,15H,1-2H3,(H,16,17).
What are the key properties of 5,5-dimethyl-2-(5-thiophen-3-yl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid?
5,5-dimethyl-2-(5-thiophen-3-yl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 326.47 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(5-thiophen-3-yl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 53273860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).