3-(2-hydroxyethyl)-4-methyl-1,3-thiazolidin-2-one

C6H11NO2S — CID 174527594

IUPAC3-(2-hydroxyethyl)-4-methyl-1,3-thiazolidin-2-one
SMILESCC1CSC(=O)N1CCO
InChIInChI=1S/C6H11NO2S/c1-5-4-10-6(9)7(5)2-3-8/h5,8H,2-4H2,1H3
InChIKeyBYBWKFOHSOHAIE-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.54
Rot. Bonds2

About 3-(2-hydroxyethyl)-4-methyl-1,3-thiazolidin-2-one

3-(2-hydroxyethyl)-4-methyl-1,3-thiazolidin-2-one (PubChem CID 174527594) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-4-methyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-4-methyl-1,3-thiazolidin-2-one
PubChem CID174527594
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name3-(2-hydroxyethyl)-4-methyl-1,3-thiazolidin-2-one
SMILESCC1CSC(=O)N1CCO
InChIInChI=1S/C6H11NO2S/c1-5-4-10-6(9)7(5)2-3-8/h5,8H,2-4H2,1H3
InChIKeyBYBWKFOHSOHAIE-UHFFFAOYSA-N
XLogP0.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 3-(2-hydroxyethyl)-4-methyl-1,3-thiazolidin-2-one 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-hydroxyethyl)-4-methyl-1,3-thiazolidin-2-one?
The IUPAC name of 3-(2-hydroxyethyl)-4-methyl-1,3-thiazolidin-2-one (CID 174527594) is 3-(2-hydroxyethyl)-4-methyl-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-4-methyl-1,3-thiazolidin-2-one?
The canonical SMILES for 3-(2-hydroxyethyl)-4-methyl-1,3-thiazolidin-2-one is CC1CSC(=O)N1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-4-methyl-1,3-thiazolidin-2-one?
The InChIKey is BYBWKFOHSOHAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-5-4-10-6(9)7(5)2-3-8/h5,8H,2-4H2,1H3.
What are the key properties of 3-(2-hydroxyethyl)-4-methyl-1,3-thiazolidin-2-one?
3-(2-hydroxyethyl)-4-methyl-1,3-thiazolidin-2-one has a molecular weight of 161.23 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-4-methyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 174527594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).