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

C22H17FN2OS — CID 3749903

IUPAC5-[(4-fluorophenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1C(Cc2ccc(F)cc2)S/C(=N\c2ccccc2)N1c1ccccc1
InChIInChI=1S/C22H17FN2OS/c23-17-13-11-16(12-14-17)15-20-21(26)25(19-9-5-2-6-10-19)22(27-20)24-18-7-3-1-4-8-18/h1-14,20H,15H2/b24-22-
InChIKeyUEYFPZXCVSZFMI-GYHWCHFESA-N
MW376.46 g/mol
LogP5.20
Rot. Bonds4

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

5-[(4-fluorophenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 3749903) has the molecular formula C22H17FN2OS and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID3749903
Molecular FormulaC22H17FN2OS
Molecular Weight376.46 g/mol
Exact Mass376.10
IUPAC Name5-[(4-fluorophenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1C(Cc2ccc(F)cc2)S/C(=N\c2ccccc2)N1c1ccccc1
InChIInChI=1S/C22H17FN2OS/c23-17-13-11-16(12-14-17)15-20-21(26)25(19-9-5-2-6-10-19)22(27-20)24-18-7-3-1-4-8-18/h1-14,20H,15H2/b24-22-
InChIKeyUEYFPZXCVSZFMI-GYHWCHFESA-N
XLogP5.20
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.20
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-[(4-fluorophenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one (CID 3749903) is 5-[(4-fluorophenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is O=C1C(Cc2ccc(F)cc2)S/C(=N\c2ccccc2)N1c1ccccc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is UEYFPZXCVSZFMI-GYHWCHFESA-N. The full InChI is InChI=1S/C22H17FN2OS/c23-17-13-11-16(12-14-17)15-20-21(26)25(19-9-5-2-6-10-19)22(27-20)24-18-7-3-1-4-8-18/h1-14,20H,15H2/b24-22-.
What are the key properties of 5-[(4-fluorophenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
5-[(4-fluorophenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 376.46 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 3749903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).