(5Z)-3-(4-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one

C18H13FN2OS — CID 102366539

IUPAC(5Z)-3-(4-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1/C(=C/C=C/c2ccccc2)NC(=S)N1c1ccc(F)cc1
InChIInChI=1S/C18H13FN2OS/c19-14-9-11-15(12-10-14)21-17(22)16(20-18(21)23)8-4-7-13-5-2-1-3-6-13/h1-12H,(H,20,23)/b7-4+,16-8-
InChIKeyWTSVSFZWJHIGFP-QSJINSDNSA-N
MW324.38 g/mol
LogP3.64
Rot. Bonds3

About (5Z)-3-(4-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one

(5Z)-3-(4-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 102366539) has the molecular formula C18H13FN2OS and a molecular weight of 324.38 g/mol. Its IUPAC name is (5Z)-3-(4-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(4-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID102366539
Molecular FormulaC18H13FN2OS
Molecular Weight324.38 g/mol
Exact Mass324.07
IUPAC Name(5Z)-3-(4-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1/C(=C/C=C/c2ccccc2)NC(=S)N1c1ccc(F)cc1
InChIInChI=1S/C18H13FN2OS/c19-14-9-11-15(12-10-14)21-17(22)16(20-18(21)23)8-4-7-13-5-2-1-3-6-13/h1-12H,(H,20,23)/b7-4+,16-8-
InChIKeyWTSVSFZWJHIGFP-QSJINSDNSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
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 (5Z)-3-(4-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-3-(4-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one (CID 102366539) is (5Z)-3-(4-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-3-(4-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-3-(4-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one is O=C1/C(=C/C=C/c2ccccc2)NC(=S)N1c1ccc(F)cc1.
What is the InChIKey of (5Z)-3-(4-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is WTSVSFZWJHIGFP-QSJINSDNSA-N. The full InChI is InChI=1S/C18H13FN2OS/c19-14-9-11-15(12-10-14)21-17(22)16(20-18(21)23)8-4-7-13-5-2-1-3-6-13/h1-12H,(H,20,23)/b7-4+,16-8-.
What are the key properties of (5Z)-3-(4-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one?
(5Z)-3-(4-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 324.38 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 102366539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).