2-(4-fluorophenyl)imino-5-phenyl-1,3-thiazolidin-4-one

C15H11FN2OS — CID 137292300

IUPAC2-(4-fluorophenyl)imino-5-phenyl-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(F)cc2)SC1c1ccccc1
InChIInChI=1S/C15H11FN2OS/c16-11-6-8-12(9-7-11)17-15-18-14(19)13(20-15)10-4-2-1-3-5-10/h1-9,13H,(H,17,18,19)
InChIKeyNROYZCUWSQVKCH-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.42
Rot. Bonds2

About 2-(4-fluorophenyl)imino-5-phenyl-1,3-thiazolidin-4-one

2-(4-fluorophenyl)imino-5-phenyl-1,3-thiazolidin-4-one (PubChem CID 137292300) has the molecular formula C15H11FN2OS and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)imino-5-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)imino-5-phenyl-1,3-thiazolidin-4-one
PubChem CID137292300
Molecular FormulaC15H11FN2OS
Molecular Weight286.33 g/mol
Exact Mass286.06
IUPAC Name2-(4-fluorophenyl)imino-5-phenyl-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(F)cc2)SC1c1ccccc1
InChIInChI=1S/C15H11FN2OS/c16-11-6-8-12(9-7-11)17-15-18-14(19)13(20-15)10-4-2-1-3-5-10/h1-9,13H,(H,17,18,19)
InChIKeyNROYZCUWSQVKCH-UHFFFAOYSA-N
XLogP3.42
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.42
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 2-(4-fluorophenyl)imino-5-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)imino-5-phenyl-1,3-thiazolidin-4-one (CID 137292300) is 2-(4-fluorophenyl)imino-5-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)imino-5-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)imino-5-phenyl-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccc(F)cc2)SC1c1ccccc1.
What is the InChIKey of 2-(4-fluorophenyl)imino-5-phenyl-1,3-thiazolidin-4-one?
The InChIKey is NROYZCUWSQVKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS/c16-11-6-8-12(9-7-11)17-15-18-14(19)13(20-15)10-4-2-1-3-5-10/h1-9,13H,(H,17,18,19).
What are the key properties of 2-(4-fluorophenyl)imino-5-phenyl-1,3-thiazolidin-4-one?
2-(4-fluorophenyl)imino-5-phenyl-1,3-thiazolidin-4-one has a molecular weight of 286.33 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)imino-5-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 137292300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).