2,5-dimethyl-1,3-thiazolidine-5-carboxylic acid

C6H11NO2S — CID 143707881

IUPAC2,5-dimethyl-1,3-thiazolidine-5-carboxylic acid
SMILESCC1NCC(C)(C(=O)O)S1
InChIInChI=1S/C6H11NO2S/c1-4-7-3-6(2,10-4)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)
InChIKeyYVPHSVQFHVPLQR-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.51
Rot. Bonds1

About 2,5-dimethyl-1,3-thiazolidine-5-carboxylic acid

2,5-dimethyl-1,3-thiazolidine-5-carboxylic acid (PubChem CID 143707881) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 2,5-dimethyl-1,3-thiazolidine-5-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-1,3-thiazolidine-5-carboxylic acid
PubChem CID143707881
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name2,5-dimethyl-1,3-thiazolidine-5-carboxylic acid
SMILESCC1NCC(C)(C(=O)O)S1
InChIInChI=1S/C6H11NO2S/c1-4-7-3-6(2,10-4)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)
InChIKeyYVPHSVQFHVPLQR-UHFFFAOYSA-N
XLogP0.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,5-dimethyl-1,3-thiazolidine-5-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 2,5-dimethyl-1,3-thiazolidine-5-carboxylic acid?
The IUPAC name of 2,5-dimethyl-1,3-thiazolidine-5-carboxylic acid (CID 143707881) is 2,5-dimethyl-1,3-thiazolidine-5-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-1,3-thiazolidine-5-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-1,3-thiazolidine-5-carboxylic acid is CC1NCC(C)(C(=O)O)S1.
What is the InChIKey of 2,5-dimethyl-1,3-thiazolidine-5-carboxylic acid?
The InChIKey is YVPHSVQFHVPLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-4-7-3-6(2,10-4)5(8)9/h4,7H,3H2,1-2H3,(H,8,9).
What are the key properties of 2,5-dimethyl-1,3-thiazolidine-5-carboxylic acid?
2,5-dimethyl-1,3-thiazolidine-5-carboxylic acid has a molecular weight of 161.23 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3-thiazolidine-5-carboxylic acid is sourced from PubChem (CID 143707881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).