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

C10H9NO2S — CID 3157013

IUPAC5-benzyl-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccccc2)S1
InChIInChI=1S/C10H9NO2S/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12,13)
InChIKeySTDKZZIKAJFATG-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.58
Rot. Bonds2

About 5-benzyl-1,3-thiazolidine-2,4-dione

5-benzyl-1,3-thiazolidine-2,4-dione (PubChem CID 3157013) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 5-benzyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-1,3-thiazolidine-2,4-dione
PubChem CID3157013
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name5-benzyl-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccccc2)S1
InChIInChI=1S/C10H9NO2S/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12,13)
InChIKeySTDKZZIKAJFATG-UHFFFAOYSA-N
XLogP1.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
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 5-benzyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-benzyl-1,3-thiazolidine-2,4-dione (CID 3157013) is 5-benzyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-benzyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-benzyl-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(Cc2ccccc2)S1.
What is the InChIKey of 5-benzyl-1,3-thiazolidine-2,4-dione?
The InChIKey is STDKZZIKAJFATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12,13).
What are the key properties of 5-benzyl-1,3-thiazolidine-2,4-dione?
5-benzyl-1,3-thiazolidine-2,4-dione has a molecular weight of 207.25 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 3157013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).