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

C16H14N2OS — CID 3849976

IUPAC3-benzyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C16H14N2OS/c19-15-12-20-16(17-14-9-5-2-6-10-14)18(15)11-13-7-3-1-4-8-13/h1-10H,11-12H2/b17-16-
InChIKeyOOASYVSFHAGPIX-MSUUIHNZSA-N
MW282.37 g/mol
LogP3.45
Rot. Bonds3

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

3-benzyl-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 3849976) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-benzyl-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID3849976
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name3-benzyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C16H14N2OS/c19-15-12-20-16(17-14-9-5-2-6-10-14)18(15)11-13-7-3-1-4-8-13/h1-10H,11-12H2/b17-16-
InChIKeyOOASYVSFHAGPIX-MSUUIHNZSA-N
XLogP3.45
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
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 3-benzyl-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 3-benzyl-2-phenylimino-1,3-thiazolidin-4-one (CID 3849976) is 3-benzyl-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-benzyl-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-benzyl-2-phenylimino-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is OOASYVSFHAGPIX-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H14N2OS/c19-15-12-20-16(17-14-9-5-2-6-10-14)18(15)11-13-7-3-1-4-8-13/h1-10H,11-12H2/b17-16-.
What are the key properties of 3-benzyl-2-phenylimino-1,3-thiazolidin-4-one?
3-benzyl-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 282.37 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 3849976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).