(5E)-5-[(4-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

C10H7FN2OS — CID 676676

IUPAC(5E)-5-[(4-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N/C1=C/c1ccc(F)cc1
InChIInChI=1S/C10H7FN2OS/c11-7-3-1-6(2-4-7)5-8-9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15)/b8-5+
InChIKeyISEWJUFUPBFYNZ-VMPITWQZSA-N
MW222.24 g/mol
LogP1.17
Rot. Bonds1

About (5E)-5-[(4-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

(5E)-5-[(4-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 676676) has the molecular formula C10H7FN2OS and a molecular weight of 222.24 g/mol. Its IUPAC name is (5E)-5-[(4-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(4-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID676676
Molecular FormulaC10H7FN2OS
Molecular Weight222.24 g/mol
Exact Mass222.03
IUPAC Name(5E)-5-[(4-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N/C1=C/c1ccc(F)cc1
InChIInChI=1S/C10H7FN2OS/c11-7-3-1-6(2-4-7)5-8-9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15)/b8-5+
InChIKeyISEWJUFUPBFYNZ-VMPITWQZSA-N
XLogP1.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (5E)-5-[(4-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-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

Related Compounds

4-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]benzaldehyde
CID 744527
4-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]benzaldehyde
CID 2246952
5-[(3-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 2859210
(5E)-5-[(3-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 867623
(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 2059155
5-[(4-tert-butylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 2878518
5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 2829176
5-[(4-ethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 2788892
(5Z)-5-[(2,6-difluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 2463851
(5Z)-5-(furan-3-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 102387545
[2-methoxy-4-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenyl] 4-fluorobenzenesulfonate
CID 50871583
(5Z)-5-[[4-(2-methylpropoxy)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 46498485

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5E)-5-[(4-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 676676) is (5E)-5-[(4-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-5-[(4-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-5-[(4-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is O=C1NC(=S)N/C1=C/c1ccc(F)cc1.
What is the InChIKey of (5E)-5-[(4-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is ISEWJUFUPBFYNZ-VMPITWQZSA-N. The full InChI is InChI=1S/C10H7FN2OS/c11-7-3-1-6(2-4-7)5-8-9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15)/b8-5+.
What are the key properties of (5E)-5-[(4-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
(5E)-5-[(4-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 222.24 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 676676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).