5-[(4-fluorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

C15H12FN3OS — CID 135414167

IUPAC5-[(4-fluorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESO=C1NC(=Nc2ccccn2)SC1Cc1ccc(F)cc1
InChIInChI=1S/C15H12FN3OS/c16-11-6-4-10(5-7-11)9-12-14(20)19-15(21-12)18-13-3-1-2-8-17-13/h1-8,12H,9H2,(H,17,18,19,20)
InChIKeyOJOXIPILLXOGHW-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.68
Rot. Bonds3

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

5-[(4-fluorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 135414167) has the molecular formula C15H12FN3OS and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
PubChem CID135414167
Molecular FormulaC15H12FN3OS
Molecular Weight301.35 g/mol
Exact Mass301.07
IUPAC Name5-[(4-fluorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESO=C1NC(=Nc2ccccn2)SC1Cc1ccc(F)cc1
InChIInChI=1S/C15H12FN3OS/c16-11-6-4-10(5-7-11)9-12-14(20)19-15(21-12)18-13-3-1-2-8-17-13/h1-8,12H,9H2,(H,17,18,19,20)
InChIKeyOJOXIPILLXOGHW-UHFFFAOYSA-N
XLogP2.68
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[(4-fluorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (CID 135414167) is 5-[(4-fluorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is O=C1NC(=Nc2ccccn2)SC1Cc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is OJOXIPILLXOGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3OS/c16-11-6-4-10(5-7-11)9-12-14(20)19-15(21-12)18-13-3-1-2-8-17-13/h1-8,12H,9H2,(H,17,18,19,20).
What are the key properties of 5-[(4-fluorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
5-[(4-fluorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 301.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135414167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).