5-[(2-methylphenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one

C23H20N2OS — CID 4545472

IUPAC5-[(2-methylphenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESCc1ccccc1CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C23H20N2OS/c1-17-10-8-9-11-18(17)16-21-22(26)25(20-14-6-3-7-15-20)23(27-21)24-19-12-4-2-5-13-19/h2-15,21H,16H2,1H3/b24-23-
InChIKeyJXUNMYIWZKHUML-VHXPQNKSSA-N
MW372.49 g/mol
LogP5.37
Rot. Bonds4

About 5-[(2-methylphenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one

5-[(2-methylphenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 4545472) has the molecular formula C23H20N2OS and a molecular weight of 372.49 g/mol. Its IUPAC name is 5-[(2-methylphenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(2-methylphenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID4545472
Molecular FormulaC23H20N2OS
Molecular Weight372.49 g/mol
Exact Mass372.13
IUPAC Name5-[(2-methylphenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESCc1ccccc1CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C23H20N2OS/c1-17-10-8-9-11-18(17)16-21-22(26)25(20-14-6-3-7-15-20)23(27-21)24-19-12-4-2-5-13-19/h2-15,21H,16H2,1H3/b24-23-
InChIKeyJXUNMYIWZKHUML-VHXPQNKSSA-N
XLogP5.37
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 55.37
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-[(2-methylphenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(2-methylphenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one (CID 4545472) is 5-[(2-methylphenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(2-methylphenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(2-methylphenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is Cc1ccccc1CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O.
What is the InChIKey of 5-[(2-methylphenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is JXUNMYIWZKHUML-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H20N2OS/c1-17-10-8-9-11-18(17)16-21-22(26)25(20-14-6-3-7-15-20)23(27-21)24-19-12-4-2-5-13-19/h2-15,21H,16H2,1H3/b24-23-.
What are the key properties of 5-[(2-methylphenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
5-[(2-methylphenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 372.49 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 4545472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).