3-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)propan-1-one

C6H11NO3S — CID 89126551

IUPAC3-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)propan-1-one
SMILESO=C(CCO)N1CCS(=O)C1
InChIInChI=1S/C6H11NO3S/c8-3-1-6(9)7-2-4-11(10)5-7/h8H,1-5H2
InChIKeyVOXNSCVJLZWDJH-UHFFFAOYSA-N
MW177.22 g/mol
LogP-1.08
Rot. Bonds2

About 3-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)propan-1-one

3-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)propan-1-one (PubChem CID 89126551) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is 3-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)propan-1-one
PubChem CID89126551
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC Name3-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)propan-1-one
SMILESO=C(CCO)N1CCS(=O)C1
InChIInChI=1S/C6H11NO3S/c8-3-1-6(9)7-2-4-11(10)5-7/h8H,1-5H2
InChIKeyVOXNSCVJLZWDJH-UHFFFAOYSA-N
XLogP-1.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)propan-1-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-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)propan-1-one?
The IUPAC name of 3-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)propan-1-one (CID 89126551) is 3-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)propan-1-one.
What is the SMILES notation for 3-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)propan-1-one?
The canonical SMILES for 3-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)propan-1-one is O=C(CCO)N1CCS(=O)C1.
What is the InChIKey of 3-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)propan-1-one?
The InChIKey is VOXNSCVJLZWDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3S/c8-3-1-6(9)7-2-4-11(10)5-7/h8H,1-5H2.
What are the key properties of 3-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)propan-1-one?
3-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)propan-1-one has a molecular weight of 177.22 g/mol, XLogP of -1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)propan-1-one is sourced from PubChem (CID 89126551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).