(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'}

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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).