1-[(E)-furan-2-ylmethylideneamino]-2-sulfanylideneimidazolidin-4-one

C8H7N3O2S — CID 6865411

IUPAC1-[(E)-furan-2-ylmethylideneamino]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CN(/N=C/c2ccco2)C(=S)N1
InChIInChI=1S/C8H7N3O2S/c12-7-5-11(8(14)10-7)9-4-6-2-1-3-13-6/h1-4H,5H2,(H,10,12,14)/b9-4+
InChIKeyJHEPFRZAJCEWOZ-RUDMXATFSA-N
MW209.23 g/mol
LogP0.33
Rot. Bonds2

About 1-[(E)-furan-2-ylmethylideneamino]-2-sulfanylideneimidazolidin-4-one

1-[(E)-furan-2-ylmethylideneamino]-2-sulfanylideneimidazolidin-4-one (PubChem CID 6865411) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is 1-[(E)-furan-2-ylmethylideneamino]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name1-[(E)-furan-2-ylmethylideneamino]-2-sulfanylideneimidazolidin-4-one
PubChem CID6865411
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name1-[(E)-furan-2-ylmethylideneamino]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CN(/N=C/c2ccco2)C(=S)N1
InChIInChI=1S/C8H7N3O2S/c12-7-5-11(8(14)10-7)9-4-6-2-1-3-13-6/h1-4H,5H2,(H,10,12,14)/b9-4+
InChIKeyJHEPFRZAJCEWOZ-RUDMXATFSA-N
XLogP0.33
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-furan-2-ylmethylideneamino]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 1-[(E)-furan-2-ylmethylideneamino]-2-sulfanylideneimidazolidin-4-one (CID 6865411) is 1-[(E)-furan-2-ylmethylideneamino]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 1-[(E)-furan-2-ylmethylideneamino]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 1-[(E)-furan-2-ylmethylideneamino]-2-sulfanylideneimidazolidin-4-one is O=C1CN(/N=C/c2ccco2)C(=S)N1.
What is the InChIKey of 1-[(E)-furan-2-ylmethylideneamino]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is JHEPFRZAJCEWOZ-RUDMXATFSA-N. The full InChI is InChI=1S/C8H7N3O2S/c12-7-5-11(8(14)10-7)9-4-6-2-1-3-13-6/h1-4H,5H2,(H,10,12,14)/b9-4+.
What are the key properties of 1-[(E)-furan-2-ylmethylideneamino]-2-sulfanylideneimidazolidin-4-one?
1-[(E)-furan-2-ylmethylideneamino]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 209.23 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-furan-2-ylmethylideneamino]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 6865411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).