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

C12H10N2OS — CID 746867

IUPAC(5E)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N/C1=C/C=C/c1ccccc1
InChIInChI=1S/C12H10N2OS/c15-11-10(13-12(16)14-11)8-4-7-9-5-2-1-3-6-9/h1-8H,(H2,13,14,15,16)/b7-4+,10-8+
InChIKeyLGQKHJZJGVVDAQ-DAAQNPAKSA-N
MW230.29 g/mol
LogP1.59
Rot. Bonds2

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

(5E)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 746867) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is (5E)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID746867
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name(5E)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N/C1=C/C=C/c1ccccc1
InChIInChI=1S/C12H10N2OS/c15-11-10(13-12(16)14-11)8-4-7-9-5-2-1-3-6-9/h1-8H,(H2,13,14,15,16)/b7-4+,10-8+
InChIKeyLGQKHJZJGVVDAQ-DAAQNPAKSA-N
XLogP1.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 51.59
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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Related Compounds

5-cinnamylideneimidazolidine-2,4-dione
CID 965914
(5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one
CID 132522668
(5Z)-3-(4-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one
CID 102366539
5-[(3-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 2859210
5-[(3-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 3001895
(5E)-5-[(3-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 867623
(5E)-5-[(2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 5463400
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-cinnamylidene-1H-pyrazol-5-one
CID 88840693
4-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]benzaldehyde
CID 2246952
(5E)-5-[(4-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 676676

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5E)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one (CID 746867) is (5E)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one is O=C1NC(=S)N/C1=C/C=C/c1ccccc1.
What is the InChIKey of (5E)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is LGQKHJZJGVVDAQ-DAAQNPAKSA-N. The full InChI is InChI=1S/C12H10N2OS/c15-11-10(13-12(16)14-11)8-4-7-9-5-2-1-3-6-9/h1-8H,(H2,13,14,15,16)/b7-4+,10-8+.
What are the key properties of (5E)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one?
(5E)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 230.29 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 746867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).