4-hydroxy-3-methyl-1,3-thiazolidin-2-one

C4H7NO2S — CID 12743040

IUPAC4-hydroxy-3-methyl-1,3-thiazolidin-2-one
SMILESCN1C(=O)SCC1O
InChIInChI=1S/C4H7NO2S/c1-5-3(6)2-8-4(5)7/h3,6H,2H2,1H3
InChIKeyNZYQKRKCDFHWOF-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.10
Rot. Bonds

About 4-hydroxy-3-methyl-1,3-thiazolidin-2-one

4-hydroxy-3-methyl-1,3-thiazolidin-2-one (PubChem CID 12743040) has the molecular formula C4H7NO2S and a molecular weight of 133.17 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-methyl-1,3-thiazolidin-2-one
PubChem CID12743040
Molecular FormulaC4H7NO2S
Molecular Weight133.17 g/mol
Exact Mass133.02
IUPAC Name4-hydroxy-3-methyl-1,3-thiazolidin-2-one
SMILESCN1C(=O)SCC1O
InChIInChI=1S/C4H7NO2S/c1-5-3(6)2-8-4(5)7/h3,6H,2H2,1H3
InChIKeyNZYQKRKCDFHWOF-UHFFFAOYSA-N
XLogP0.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-hydroxy-3-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 4-hydroxy-3-methyl-1,3-thiazolidin-2-one?
The IUPAC name of 4-hydroxy-3-methyl-1,3-thiazolidin-2-one (CID 12743040) is 4-hydroxy-3-methyl-1,3-thiazolidin-2-one.
What is the SMILES notation for 4-hydroxy-3-methyl-1,3-thiazolidin-2-one?
The canonical SMILES for 4-hydroxy-3-methyl-1,3-thiazolidin-2-one is CN1C(=O)SCC1O.
What is the InChIKey of 4-hydroxy-3-methyl-1,3-thiazolidin-2-one?
The InChIKey is NZYQKRKCDFHWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2S/c1-5-3(6)2-8-4(5)7/h3,6H,2H2,1H3.
What are the key properties of 4-hydroxy-3-methyl-1,3-thiazolidin-2-one?
4-hydroxy-3-methyl-1,3-thiazolidin-2-one has a molecular weight of 133.17 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 12743040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).