3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione

C11H11NO2S — CID 2932827

IUPAC3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1CCc1ccccc1
InChIInChI=1S/C11H11NO2S/c13-10-8-15-11(14)12(10)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyVQBZVXONHFRPQE-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.92
Rot. Bonds3

About 3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione

3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione (PubChem CID 2932827) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione
PubChem CID2932827
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1CCc1ccccc1
InChIInChI=1S/C11H11NO2S/c13-10-8-15-11(14)12(10)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyVQBZVXONHFRPQE-UHFFFAOYSA-N
XLogP1.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.92
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-(2-phenylethyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione (CID 2932827) is 3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1CCc1ccccc1.
What is the InChIKey of 3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is VQBZVXONHFRPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c13-10-8-15-11(14)12(10)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione?
3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 221.28 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2932827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).