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

C5H9NO2S2 — CID 156633789

IUPAC3-(2-hydroxyethyl)-2-sulfanyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(S)N1CCO
InChIInChI=1S/C5H9NO2S2/c7-2-1-6-4(8)3-10-5(6)9/h5,7,9H,1-3H2
InChIKeyGTDFPXLUOSBXFZ-UHFFFAOYSA-N
MW179.27 g/mol
LogP-0.23
Rot. Bonds2

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

3-(2-hydroxyethyl)-2-sulfanyl-1,3-thiazolidin-4-one (PubChem CID 156633789) has the molecular formula C5H9NO2S2 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-2-sulfanyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-2-sulfanyl-1,3-thiazolidin-4-one
PubChem CID156633789
Molecular FormulaC5H9NO2S2
Molecular Weight179.27 g/mol
Exact Mass179.01
IUPAC Name3-(2-hydroxyethyl)-2-sulfanyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(S)N1CCO
InChIInChI=1S/C5H9NO2S2/c7-2-1-6-4(8)3-10-5(6)9/h5,7,9H,1-3H2
InChIKeyGTDFPXLUOSBXFZ-UHFFFAOYSA-N
XLogP-0.23
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-(2-hydroxyethyl)-2-sulfanyl-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Thiazolidinone, 3-(2-hydroxyethyl)-
CID 3685883
3-(2-Hydroxyethyl)thiazolidine-2,4-dione
CID 12231218
3-(2-Hydroxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 12401835
3-(2-Hydroxyethyl)-1,3-thiazolidin-2-one
CID 141188625
5-Hydroxy-2,3-dimethyl-1,3-thiazolidin-4-one
CID 143892384
3-(2-Hydroxyethyl)-2-methyl-1,3-thiazolidin-4-one
CID 11041011

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-2-sulfanyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-2-sulfanyl-1,3-thiazolidin-4-one (CID 156633789) is 3-(2-hydroxyethyl)-2-sulfanyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-2-sulfanyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-2-sulfanyl-1,3-thiazolidin-4-one is O=C1CSC(S)N1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-2-sulfanyl-1,3-thiazolidin-4-one?
The InChIKey is GTDFPXLUOSBXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S2/c7-2-1-6-4(8)3-10-5(6)9/h5,7,9H,1-3H2.
What are the key properties of 3-(2-hydroxyethyl)-2-sulfanyl-1,3-thiazolidin-4-one?
3-(2-hydroxyethyl)-2-sulfanyl-1,3-thiazolidin-4-one has a molecular weight of 179.27 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-2-sulfanyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 156633789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).