5-benzyl-2-phenylimino-1,3-thiazolidin-4-one

C16H14N2OS — CID 135406212

IUPAC5-benzyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2)SC1Cc1ccccc1
InChIInChI=1S/C16H14N2OS/c19-15-14(11-12-7-3-1-4-8-12)20-16(18-15)17-13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,18,19)
InChIKeyPPDYGCWUBUMCPQ-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.15
Rot. Bonds3

About 5-benzyl-2-phenylimino-1,3-thiazolidin-4-one

5-benzyl-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 135406212) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 5-benzyl-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-benzyl-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID135406212
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name5-benzyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2)SC1Cc1ccccc1
InChIInChI=1S/C16H14N2OS/c19-15-14(11-12-7-3-1-4-8-12)20-16(18-15)17-13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,18,19)
InChIKeyPPDYGCWUBUMCPQ-UHFFFAOYSA-N
XLogP3.15
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-benzyl-2-phenylimino-1,3-thiazolidin-4-one (CID 135406212) is 5-benzyl-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-benzyl-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-benzyl-2-phenylimino-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccccc2)SC1Cc1ccccc1.
What is the InChIKey of 5-benzyl-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is PPDYGCWUBUMCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c19-15-14(11-12-7-3-1-4-8-12)20-16(18-15)17-13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,18,19).
What are the key properties of 5-benzyl-2-phenylimino-1,3-thiazolidin-4-one?
5-benzyl-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 282.37 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135406212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).