3-(1,2-oxazol-3-ylmethyl)-1,3-thiazolidine-2,4-dione

C7H6N2O3S — CID 126987334

IUPAC3-(1,2-oxazol-3-ylmethyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1Cc1ccon1
InChIInChI=1S/C7H6N2O3S/c10-6-4-13-7(11)9(6)3-5-1-2-12-8-5/h1-2H,3-4H2
InChIKeyXNERIWNKCBNWNX-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.87
Rot. Bonds2

About 3-(1,2-oxazol-3-ylmethyl)-1,3-thiazolidine-2,4-dione

3-(1,2-oxazol-3-ylmethyl)-1,3-thiazolidine-2,4-dione (PubChem CID 126987334) has the molecular formula C7H6N2O3S and a molecular weight of 198.20 g/mol. Its IUPAC name is 3-(1,2-oxazol-3-ylmethyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(1,2-oxazol-3-ylmethyl)-1,3-thiazolidine-2,4-dione
PubChem CID126987334
Molecular FormulaC7H6N2O3S
Molecular Weight198.20 g/mol
Exact Mass198.01
IUPAC Name3-(1,2-oxazol-3-ylmethyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1Cc1ccon1
InChIInChI=1S/C7H6N2O3S/c10-6-4-13-7(11)9(6)3-5-1-2-12-8-5/h1-2H,3-4H2
InChIKeyXNERIWNKCBNWNX-UHFFFAOYSA-N
XLogP0.87
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(1,2-oxazol-3-ylmethyl)-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-(1,2-oxazol-3-ylmethyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(1,2-oxazol-3-ylmethyl)-1,3-thiazolidine-2,4-dione (CID 126987334) is 3-(1,2-oxazol-3-ylmethyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(1,2-oxazol-3-ylmethyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(1,2-oxazol-3-ylmethyl)-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1Cc1ccon1.
What is the InChIKey of 3-(1,2-oxazol-3-ylmethyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is XNERIWNKCBNWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O3S/c10-6-4-13-7(11)9(6)3-5-1-2-12-8-5/h1-2H,3-4H2.
What are the key properties of 3-(1,2-oxazol-3-ylmethyl)-1,3-thiazolidine-2,4-dione?
3-(1,2-oxazol-3-ylmethyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 198.20 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-3-ylmethyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126987334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).