3-(4-hydroxybutyl)-1,3-thiazolidin-2-one

C7H13NO2S — CID 174299794

IUPAC3-(4-hydroxybutyl)-1,3-thiazolidin-2-one
SMILESO=C1SCCN1CCCCO
InChIInChI=1S/C7H13NO2S/c9-5-2-1-3-8-4-6-11-7(8)10/h9H,1-6H2
InChIKeyOWAOXULOBVTIGS-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.93
Rot. Bonds4

About 3-(4-hydroxybutyl)-1,3-thiazolidin-2-one

3-(4-hydroxybutyl)-1,3-thiazolidin-2-one (PubChem CID 174299794) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-(4-hydroxybutyl)-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-(4-hydroxybutyl)-1,3-thiazolidin-2-one
PubChem CID174299794
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name3-(4-hydroxybutyl)-1,3-thiazolidin-2-one
SMILESO=C1SCCN1CCCCO
InChIInChI=1S/C7H13NO2S/c9-5-2-1-3-8-4-6-11-7(8)10/h9H,1-6H2
InChIKeyOWAOXULOBVTIGS-UHFFFAOYSA-N
XLogP0.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-hydroxybutyl)-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-(4-hydroxybutyl)-1,3-thiazolidin-2-one?
The IUPAC name of 3-(4-hydroxybutyl)-1,3-thiazolidin-2-one (CID 174299794) is 3-(4-hydroxybutyl)-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-(4-hydroxybutyl)-1,3-thiazolidin-2-one?
The canonical SMILES for 3-(4-hydroxybutyl)-1,3-thiazolidin-2-one is O=C1SCCN1CCCCO.
What is the InChIKey of 3-(4-hydroxybutyl)-1,3-thiazolidin-2-one?
The InChIKey is OWAOXULOBVTIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c9-5-2-1-3-8-4-6-11-7(8)10/h9H,1-6H2.
What are the key properties of 3-(4-hydroxybutyl)-1,3-thiazolidin-2-one?
3-(4-hydroxybutyl)-1,3-thiazolidin-2-one has a molecular weight of 175.25 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybutyl)-1,3-thiazolidin-2-one is sourced from PubChem (CID 174299794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).