(5Z)-3-ethyl-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

C10H9IN2O2S — CID 5400779

IUPAC(5Z)-3-ethyl-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2ccc(I)o2)NC1=S
InChIInChI=1S/C10H9IN2O2S/c1-2-13-9(14)7(12-10(13)16)5-6-3-4-8(11)15-6/h3-5H,2H2,1H3,(H,12,16)/b7-5-
InChIKeyUWVHJCZITDEMBI-ALCCZGGFSA-N
MW348.17 g/mol
LogP1.96
Rot. Bonds2

About (5Z)-3-ethyl-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

(5Z)-3-ethyl-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 5400779) has the molecular formula C10H9IN2O2S and a molecular weight of 348.17 g/mol. Its IUPAC name is (5Z)-3-ethyl-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-ethyl-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID5400779
Molecular FormulaC10H9IN2O2S
Molecular Weight348.17 g/mol
Exact Mass347.94
IUPAC Name(5Z)-3-ethyl-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2ccc(I)o2)NC1=S
InChIInChI=1S/C10H9IN2O2S/c1-2-13-9(14)7(12-10(13)16)5-6-3-4-8(11)15-6/h3-5H,2H2,1H3,(H,12,16)/b7-5-
InChIKeyUWVHJCZITDEMBI-ALCCZGGFSA-N
XLogP1.96
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'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-ethyl-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-3-ethyl-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 5400779) is (5Z)-3-ethyl-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-3-ethyl-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-3-ethyl-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is CCN1C(=O)/C(=C/c2ccc(I)o2)NC1=S.
What is the InChIKey of (5Z)-3-ethyl-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is UWVHJCZITDEMBI-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H9IN2O2S/c1-2-13-9(14)7(12-10(13)16)5-6-3-4-8(11)15-6/h3-5H,2H2,1H3,(H,12,16)/b7-5-.
What are the key properties of (5Z)-3-ethyl-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
(5Z)-3-ethyl-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 348.17 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-ethyl-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 5400779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).