5-benzyl-2-[(2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C17H14FN3OS — CID 135402324

IUPAC5-benzyl-2-[(2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=NN=Cc2ccccc2F)SC1Cc1ccccc1
InChIInChI=1S/C17H14FN3OS/c18-14-9-5-4-8-13(14)11-19-21-17-20-16(22)15(23-17)10-12-6-2-1-3-7-12/h1-9,11,15H,10H2,(H,20,21,22)
InChIKeyFYZPILAOZKFHCU-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.99
Rot. Bonds4

About 5-benzyl-2-[(2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

5-benzyl-2-[(2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135402324) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-benzyl-2-[(2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-benzyl-2-[(2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135402324
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC Name5-benzyl-2-[(2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=NN=Cc2ccccc2F)SC1Cc1ccccc1
InChIInChI=1S/C17H14FN3OS/c18-14-9-5-4-8-13(14)11-19-21-17-20-16(22)15(23-17)10-12-6-2-1-3-7-12/h1-9,11,15H,10H2,(H,20,21,22)
InChIKeyFYZPILAOZKFHCU-UHFFFAOYSA-N
XLogP2.99
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-benzyl-2-[(2-fluorophenyl)methylidenehydrazinylidene]-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-benzyl-2-[(2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 5-benzyl-2-[(2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135402324) is 5-benzyl-2-[(2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-benzyl-2-[(2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 5-benzyl-2-[(2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1NC(=NN=Cc2ccccc2F)SC1Cc1ccccc1.
What is the InChIKey of 5-benzyl-2-[(2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is FYZPILAOZKFHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS/c18-14-9-5-4-8-13(14)11-19-21-17-20-16(22)15(23-17)10-12-6-2-1-3-7-12/h1-9,11,15H,10H2,(H,20,21,22).
What are the key properties of 5-benzyl-2-[(2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
5-benzyl-2-[(2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 327.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-[(2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135402324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).