(2Z)-3-[(4-fluorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C16H14FN3OS2 — CID 127049543

IUPAC(2Z)-3-[(4-fluorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1\SCC(=O)N1Cc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C16H14FN3OS2/c1-11(14-3-2-8-22-14)18-19-16-20(15(21)10-23-16)9-12-4-6-13(17)7-5-12/h2-8H,9-10H2,1H3/b18-11-,19-16-
InChIKeyZORDFUJLDVBLAR-GVPHMVRHSA-N
MW347.44 g/mol
LogP3.74
Rot. Bonds4

About (2Z)-3-[(4-fluorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-3-[(4-fluorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 127049543) has the molecular formula C16H14FN3OS2 and a molecular weight of 347.44 g/mol. Its IUPAC name is (2Z)-3-[(4-fluorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-3-[(4-fluorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID127049543
Molecular FormulaC16H14FN3OS2
Molecular Weight347.44 g/mol
Exact Mass347.06
IUPAC Name(2Z)-3-[(4-fluorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1\SCC(=O)N1Cc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C16H14FN3OS2/c1-11(14-3-2-8-22-14)18-19-16-20(15(21)10-23-16)9-12-4-6-13(17)7-5-12/h2-8H,9-10H2,1H3/b18-11-,19-16-
InChIKeyZORDFUJLDVBLAR-GVPHMVRHSA-N
XLogP3.74
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2Z)-3-[(4-fluorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-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 (2Z)-3-[(4-fluorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-[(4-fluorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 127049543) is (2Z)-3-[(4-fluorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-3-[(4-fluorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-[(4-fluorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is C/C(=N/N=C1\SCC(=O)N1Cc1ccc(F)cc1)c1cccs1.
What is the InChIKey of (2Z)-3-[(4-fluorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is ZORDFUJLDVBLAR-GVPHMVRHSA-N. The full InChI is InChI=1S/C16H14FN3OS2/c1-11(14-3-2-8-22-14)18-19-16-20(15(21)10-23-16)9-12-4-6-13(17)7-5-12/h2-8H,9-10H2,1H3/b18-11-,19-16-.
What are the key properties of (2Z)-3-[(4-fluorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-3-[(4-fluorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 347.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-[(4-fluorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 127049543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).