(5Z)-3-(4-ethoxyphenyl)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

C18H18N2O3S — CID 2179260

IUPAC(5Z)-3-(4-ethoxyphenyl)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCCOc1ccc(N2C(=O)/C(=C/c3ccc(C)o3)N(C)C2=S)cc1
InChIInChI=1S/C18H18N2O3S/c1-4-22-14-9-6-13(7-10-14)20-17(21)16(19(3)18(20)24)11-15-8-5-12(2)23-15/h5-11H,4H2,1-3H3/b16-11-
InChIKeyXLZYLILADISGHN-WJDWOHSUSA-N
MW342.42 g/mol
LogP3.59
Rot. Bonds4

About (5Z)-3-(4-ethoxyphenyl)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

(5Z)-3-(4-ethoxyphenyl)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 2179260) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is (5Z)-3-(4-ethoxyphenyl)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(4-ethoxyphenyl)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID2179260
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name(5Z)-3-(4-ethoxyphenyl)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCCOc1ccc(N2C(=O)/C(=C/c3ccc(C)o3)N(C)C2=S)cc1
InChIInChI=1S/C18H18N2O3S/c1-4-22-14-9-6-13(7-10-14)20-17(21)16(19(3)18(20)24)11-15-8-5-12(2)23-15/h5-11H,4H2,1-3H3/b16-11-
InChIKeyXLZYLILADISGHN-WJDWOHSUSA-N
XLogP3.59
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(E)-3-(furan-2-yl)-N-[(4-methoxyphenyl)carbamothioyl]prop-2-enamide
CID 835019
(E)-3-(furan-2-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 963834
2-(4-methoxyphenyl)-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 4842742
3-(4-Ethoxyphenyl)-1-methyl-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 2180088
3-(4-Ethoxyphenyl)-5-(2-furylmethylene)-1-methyl-2-thioxo-4-imidazolidinone
CID 2180452
2-[1-ethyl-3-(furan-2-ylmethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 2951582
N-(4-ethoxyphenyl)-2-[3-(furan-2-ylmethyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl]acetamide
CID 3540332
1-(4-ethoxyphenyl)-5-[(5-methyl-2-furyl)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
CID 2058360
(2E)-N-{[4-(dimethylamino)phenyl]carbamothioyl}-3-(furan-2-yl)prop-2-enamide
CID 885083
(E)-3-(furan-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]prop-2-enamide
CID 890674
(5E)-5-[(5-methylfuran-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 895537
4-amino-3-(4-ethoxyphenyl)-N-(2-furylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 1301315

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-ethoxyphenyl)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-3-(4-ethoxyphenyl)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 2179260) is (5Z)-3-(4-ethoxyphenyl)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-3-(4-ethoxyphenyl)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-3-(4-ethoxyphenyl)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is CCOc1ccc(N2C(=O)/C(=C/c3ccc(C)o3)N(C)C2=S)cc1.
What is the InChIKey of (5Z)-3-(4-ethoxyphenyl)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is XLZYLILADISGHN-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-4-22-14-9-6-13(7-10-14)20-17(21)16(19(3)18(20)24)11-15-8-5-12(2)23-15/h5-11H,4H2,1-3H3/b16-11-.
What are the key properties of (5Z)-3-(4-ethoxyphenyl)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
(5Z)-3-(4-ethoxyphenyl)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 342.42 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-ethoxyphenyl)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 2179260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).