(5Z)-3-benzyl-5-benzylidene-1,3-thiazolidine-2,4-dione

C17H13NO2S — CID 2184377

IUPAC(5Z)-3-benzyl-5-benzylidene-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H13NO2S/c19-16-15(11-13-7-3-1-4-8-13)21-17(20)18(16)12-14-9-5-2-6-10-14/h1-11H,12H2/b15-11-
InChIKeyXSROJBUXQRZBNF-PTNGSMBKSA-N
MW295.36 g/mol
LogP3.92
Rot. Bonds3

About (5Z)-3-benzyl-5-benzylidene-1,3-thiazolidine-2,4-dione

(5Z)-3-benzyl-5-benzylidene-1,3-thiazolidine-2,4-dione (PubChem CID 2184377) has the molecular formula C17H13NO2S and a molecular weight of 295.36 g/mol. Its IUPAC name is (5Z)-3-benzyl-5-benzylidene-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-benzyl-5-benzylidene-1,3-thiazolidine-2,4-dione
PubChem CID2184377
Molecular FormulaC17H13NO2S
Molecular Weight295.36 g/mol
Exact Mass295.07
IUPAC Name(5Z)-3-benzyl-5-benzylidene-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H13NO2S/c19-16-15(11-13-7-3-1-4-8-13)21-17(20)18(16)12-14-9-5-2-6-10-14/h1-11H,12H2/b15-11-
InChIKeyXSROJBUXQRZBNF-PTNGSMBKSA-N
XLogP3.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-benzyl-5-benzylidene-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-benzyl-5-benzylidene-1,3-thiazolidine-2,4-dione (CID 2184377) is (5Z)-3-benzyl-5-benzylidene-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-benzyl-5-benzylidene-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-benzyl-5-benzylidene-1,3-thiazolidine-2,4-dione is O=C1S/C(=C\c2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (5Z)-3-benzyl-5-benzylidene-1,3-thiazolidine-2,4-dione?
The InChIKey is XSROJBUXQRZBNF-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H13NO2S/c19-16-15(11-13-7-3-1-4-8-13)21-17(20)18(16)12-14-9-5-2-6-10-14/h1-11H,12H2/b15-11-.
What are the key properties of (5Z)-3-benzyl-5-benzylidene-1,3-thiazolidine-2,4-dione?
(5Z)-3-benzyl-5-benzylidene-1,3-thiazolidine-2,4-dione has a molecular weight of 295.36 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-benzyl-5-benzylidene-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2184377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).