(5E)-5-benzylidene-2-phenylimino-1,3-thiazolidin-4-one

C16H12N2OS — CID 135403089

IUPAC(5E)-5-benzylidene-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccccc2)S/C1=C/c1ccccc1
InChIInChI=1S/C16H12N2OS/c19-15-14(11-12-7-3-1-4-8-12)20-16(18-15)17-13-9-5-2-6-10-13/h1-11H,(H,17,18,19)/b14-11+
InChIKeyAXMGOWZVQOLCDR-SDNWHVSQSA-N
MW280.35 g/mol
LogP3.58
Rot. Bonds2

About (5E)-5-benzylidene-2-phenylimino-1,3-thiazolidin-4-one

(5E)-5-benzylidene-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 135403089) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is (5E)-5-benzylidene-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-benzylidene-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID135403089
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC Name(5E)-5-benzylidene-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccccc2)S/C1=C/c1ccccc1
InChIInChI=1S/C16H12N2OS/c19-15-14(11-12-7-3-1-4-8-12)20-16(18-15)17-13-9-5-2-6-10-13/h1-11H,(H,17,18,19)/b14-11+
InChIKeyAXMGOWZVQOLCDR-SDNWHVSQSA-N
XLogP3.58
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-benzylidene-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-benzylidene-2-phenylimino-1,3-thiazolidin-4-one (CID 135403089) is (5E)-5-benzylidene-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-benzylidene-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-benzylidene-2-phenylimino-1,3-thiazolidin-4-one is O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccccc1.
What is the InChIKey of (5E)-5-benzylidene-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is AXMGOWZVQOLCDR-SDNWHVSQSA-N. The full InChI is InChI=1S/C16H12N2OS/c19-15-14(11-12-7-3-1-4-8-12)20-16(18-15)17-13-9-5-2-6-10-13/h1-11H,(H,17,18,19)/b14-11+.
What are the key properties of (5E)-5-benzylidene-2-phenylimino-1,3-thiazolidin-4-one?
(5E)-5-benzylidene-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 280.35 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135403089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).