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

C10H9NO2S — CID 2788476

IUPAC3-benzyl-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1Cc1ccccc1
InChIInChI=1S/C10H9NO2S/c12-9-7-14-10(13)11(9)6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyJIMXJAFZPUUCAD-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.88
Rot. Bonds2

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

3-benzyl-1,3-thiazolidine-2,4-dione (PubChem CID 2788476) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 3-benzyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-1,3-thiazolidine-2,4-dione
PubChem CID2788476
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name3-benzyl-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1Cc1ccccc1
InChIInChI=1S/C10H9NO2S/c12-9-7-14-10(13)11(9)6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyJIMXJAFZPUUCAD-UHFFFAOYSA-N
XLogP1.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-benzyl-1,3-thiazolidine-2,4-dione (CID 2788476) is 3-benzyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-benzyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-benzyl-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-1,3-thiazolidine-2,4-dione?
The InChIKey is JIMXJAFZPUUCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c12-9-7-14-10(13)11(9)6-8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 3-benzyl-1,3-thiazolidine-2,4-dione?
3-benzyl-1,3-thiazolidine-2,4-dione has a molecular weight of 207.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2788476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).