1,3-thiazolidine-2-carboxylic acid;hydrochloride

C4H8ClNO2S — CID 3053087

IUPAC1,3-thiazolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1NCCS1
InChIInChI=1S/C4H7NO2S.ClH/c6-4(7)3-5-1-2-8-3;/h3,5H,1-2H2,(H,6,7);1H
InChIKeyOZADRTSRQVJFBI-UHFFFAOYSA-N
MW169.63 g/mol
LogP0.16
Rot. Bonds1

About 1,3-thiazolidine-2-carboxylic acid;hydrochloride

1,3-thiazolidine-2-carboxylic acid;hydrochloride (PubChem CID 3053087) has the molecular formula C4H8ClNO2S and a molecular weight of 169.63 g/mol. Its IUPAC name is 1,3-thiazolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1,3-thiazolidine-2-carboxylic acid;hydrochloride
PubChem CID3053087
Molecular FormulaC4H8ClNO2S
Molecular Weight169.63 g/mol
Exact Mass169.00
IUPAC Name1,3-thiazolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1NCCS1
InChIInChI=1S/C4H7NO2S.ClH/c6-4(7)3-5-1-2-8-3;/h3,5H,1-2H2,(H,6,7);1H
InChIKeyOZADRTSRQVJFBI-UHFFFAOYSA-N
XLogP0.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.63
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,3-thiazolidine-2-carboxylic acid;hydrochloride 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 1,3-thiazolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 1,3-thiazolidine-2-carboxylic acid;hydrochloride (CID 3053087) is 1,3-thiazolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 1,3-thiazolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 1,3-thiazolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)C1NCCS1.
What is the InChIKey of 1,3-thiazolidine-2-carboxylic acid;hydrochloride?
The InChIKey is OZADRTSRQVJFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2S.ClH/c6-4(7)3-5-1-2-8-3;/h3,5H,1-2H2,(H,6,7);1H.
What are the key properties of 1,3-thiazolidine-2-carboxylic acid;hydrochloride?
1,3-thiazolidine-2-carboxylic acid;hydrochloride has a molecular weight of 169.63 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 3053087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).