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

C22H18N2OS — CID 3098751

IUPAC5-benzyl-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1C(Cc2ccccc2)S/C(=N\c2ccccc2)N1c1ccccc1
InChIInChI=1S/C22H18N2OS/c25-21-20(16-17-10-4-1-5-11-17)26-22(23-18-12-6-2-7-13-18)24(21)19-14-8-3-9-15-19/h1-15,20H,16H2/b23-22-
InChIKeyYRGIXGZBFRNAQP-FCQUAONHSA-N
MW358.47 g/mol
LogP5.07
Rot. Bonds4

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

5-benzyl-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 3098751) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 5-benzyl-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-benzyl-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID3098751
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC Name5-benzyl-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1C(Cc2ccccc2)S/C(=N\c2ccccc2)N1c1ccccc1
InChIInChI=1S/C22H18N2OS/c25-21-20(16-17-10-4-1-5-11-17)26-22(23-18-12-6-2-7-13-18)24(21)19-14-8-3-9-15-19/h1-15,20H,16H2/b23-22-
InChIKeyYRGIXGZBFRNAQP-FCQUAONHSA-N
XLogP5.07
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 55.07
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 5-benzyl-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-benzyl-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one (CID 3098751) is 5-benzyl-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-benzyl-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-benzyl-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is O=C1C(Cc2ccccc2)S/C(=N\c2ccccc2)N1c1ccccc1.
What is the InChIKey of 5-benzyl-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is YRGIXGZBFRNAQP-FCQUAONHSA-N. The full InChI is InChI=1S/C22H18N2OS/c25-21-20(16-17-10-4-1-5-11-17)26-22(23-18-12-6-2-7-13-18)24(21)19-14-8-3-9-15-19/h1-15,20H,16H2/b23-22-.
What are the key properties of 5-benzyl-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
5-benzyl-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 358.47 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 3098751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).