1,3-diethyl-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

C18H18N2O2S — CID 71966954

IUPAC1,3-diethyl-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCCN1C(=O)C(=Cc2ccc(-c3ccccc3)o2)N(CC)C1=S
InChIInChI=1S/C18H18N2O2S/c1-3-19-15(17(21)20(4-2)18(19)23)12-14-10-11-16(22-14)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3
InChIKeyKENPZHLDCLDOND-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.76
Rot. Bonds4

About 1,3-diethyl-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

1,3-diethyl-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 71966954) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1,3-diethyl-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name1,3-diethyl-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID71966954
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name1,3-diethyl-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCCN1C(=O)C(=Cc2ccc(-c3ccccc3)o2)N(CC)C1=S
InChIInChI=1S/C18H18N2O2S/c1-3-19-15(17(21)20(4-2)18(19)23)12-14-10-11-16(22-14)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3
InChIKeyKENPZHLDCLDOND-UHFFFAOYSA-N
XLogP3.76
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
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

5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1,3-diethyl-2-sulfanylideneimidazolidin-4-one
CID 1334526
4-[5-[(1,3-diethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid
CID 1227038
3-[5-[(Z)-(1,3-diethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate
CID 7364284
(5E)-3-ethyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2187903
(5E)-3-benzyl-5-[(5-phenylfuran-2-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 6196458
(5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-ethyl-4-sulfanylidene-1,3-thiazolidin-2-one
CID 45381458
5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-ethyl-4-sulfanylidene-1,3-thiazolidin-2-one
CID 75114361
(5Z)-3-benzyl-5-[(5-phenylfuran-2-yl)methylidene]imidazolidine-2,4-dione
CID 126203245
(5E)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]imidazolidine-2,4-dione
CID 126199485
3-ethyl-5-[[5-(2-hydroxyphenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 75114410
3-(3-hydroxypropyl)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 75114437
ethyl 2-[(5E)-4-oxo-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
CID 58643228

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 1,3-diethyl-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 71966954) is 1,3-diethyl-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 1,3-diethyl-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 1,3-diethyl-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is CCN1C(=O)C(=Cc2ccc(-c3ccccc3)o2)N(CC)C1=S.
What is the InChIKey of 1,3-diethyl-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is KENPZHLDCLDOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-3-19-15(17(21)20(4-2)18(19)23)12-14-10-11-16(22-14)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3.
What are the key properties of 1,3-diethyl-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
1,3-diethyl-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 326.42 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 71966954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).