(5E)-5-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one

C15H18N2O2S — CID 19547167

IUPAC(5E)-5-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one
SMILESCC(=C\c1ccco1)/C=C1/NC(=S)N(CC(C)C)C1=O
InChIInChI=1S/C15H18N2O2S/c1-10(2)9-17-14(18)13(16-15(17)20)8-11(3)7-12-5-4-6-19-12/h4-8,10H,9H2,1-3H3,(H,16,20)/b11-7+,13-8+
InChIKeyHFCFBXIZYDYWDD-ZHSLHGDYSA-N
MW290.39 g/mol
LogP2.94
Rot. Bonds4

About (5E)-5-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one

(5E)-5-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 19547167) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is (5E)-5-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID19547167
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name(5E)-5-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one
SMILESCC(=C\c1ccco1)/C=C1/NC(=S)N(CC(C)C)C1=O
InChIInChI=1S/C15H18N2O2S/c1-10(2)9-17-14(18)13(16-15(17)20)8-11(3)7-12-5-4-6-19-12/h4-8,10H,9H2,1-3H3,(H,16,20)/b11-7+,13-8+
InChIKeyHFCFBXIZYDYWDD-ZHSLHGDYSA-N
XLogP2.94
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(5Z)-3-(furan-2-ylmethyl)-5-(furan-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 26493283
2-[(5Z)-5-[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 2287333
(5E)-3-butyl-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one
CID 19545623
5-(furan-2-ylmethylidene)-3-(piperidin-1-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 3005289
(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one
CID 19547128
5-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 50872420
(5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(furan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 19548303
(5E)-3-(2-methylpropyl)-5-[[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19547106
(5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one
CID 19547046
(5E)-5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one
CID 19547000
(5Z)-1-ethyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 5425485
(5E)-3-(2-methylpropyl)-5-[(3-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19547022

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5E)-5-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one (CID 19547167) is (5E)-5-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-5-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-5-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one is CC(=C\c1ccco1)/C=C1/NC(=S)N(CC(C)C)C1=O.
What is the InChIKey of (5E)-5-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is HFCFBXIZYDYWDD-ZHSLHGDYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10(2)9-17-14(18)13(16-15(17)20)8-11(3)7-12-5-4-6-19-12/h4-8,10H,9H2,1-3H3,(H,16,20)/b11-7+,13-8+.
What are the key properties of (5E)-5-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one?
(5E)-5-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 290.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 19547167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).