3-propyl-1,3-thiazolidine-2,4-dione

C6H9NO2S — CID 12572929

IUPAC3-propyl-1,3-thiazolidine-2,4-dione
SMILESCCCN1C(=O)CSC1=O
InChIInChI=1S/C6H9NO2S/c1-2-3-7-5(8)4-10-6(7)9/h2-4H2,1H3
InChIKeyXREYQKIUPYMLAS-UHFFFAOYSA-N
MW159.21 g/mol
LogP1.09
Rot. Bonds2

About 3-propyl-1,3-thiazolidine-2,4-dione

3-propyl-1,3-thiazolidine-2,4-dione (PubChem CID 12572929) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 3-propyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-propyl-1,3-thiazolidine-2,4-dione
PubChem CID12572929
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name3-propyl-1,3-thiazolidine-2,4-dione
SMILESCCCN1C(=O)CSC1=O
InChIInChI=1S/C6H9NO2S/c1-2-3-7-5(8)4-10-6(7)9/h2-4H2,1H3
InChIKeyXREYQKIUPYMLAS-UHFFFAOYSA-N
XLogP1.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-propyl-1,3-thiazolidine-2,4-dione 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-propyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-propyl-1,3-thiazolidine-2,4-dione (CID 12572929) is 3-propyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-propyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-propyl-1,3-thiazolidine-2,4-dione is CCCN1C(=O)CSC1=O.
What is the InChIKey of 3-propyl-1,3-thiazolidine-2,4-dione?
The InChIKey is XREYQKIUPYMLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-2-3-7-5(8)4-10-6(7)9/h2-4H2,1H3.
What are the key properties of 3-propyl-1,3-thiazolidine-2,4-dione?
3-propyl-1,3-thiazolidine-2,4-dione has a molecular weight of 159.21 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 12572929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).