(4E)-2-ethylsulfanyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one

C10H10N2O2S — CID 135508854

IUPAC(4E)-2-ethylsulfanyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
SMILESCCSC1=N/C(=C/c2ccco2)C(=O)N1
InChIInChI=1S/C10H10N2O2S/c1-2-15-10-11-8(9(13)12-10)6-7-4-3-5-14-7/h3-6H,2H2,1H3,(H,11,12,13)/b8-6+
InChIKeyXDYAMQJWCFUJOP-SOFGYWHQSA-N
MW222.27 g/mol
LogP1.86
Rot. Bonds2

About (4E)-2-ethylsulfanyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one

(4E)-2-ethylsulfanyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one (PubChem CID 135508854) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is (4E)-2-ethylsulfanyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-2-ethylsulfanyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
PubChem CID135508854
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name(4E)-2-ethylsulfanyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
SMILESCCSC1=N/C(=C/c2ccco2)C(=O)N1
InChIInChI=1S/C10H10N2O2S/c1-2-15-10-11-8(9(13)12-10)6-7-4-3-5-14-7/h3-6H,2H2,1H3,(H,11,12,13)/b8-6+
InChIKeyXDYAMQJWCFUJOP-SOFGYWHQSA-N
XLogP1.86
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-2-ethylsulfanyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
The IUPAC name of (4E)-2-ethylsulfanyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one (CID 135508854) is (4E)-2-ethylsulfanyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one.
What is the SMILES notation for (4E)-2-ethylsulfanyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
The canonical SMILES for (4E)-2-ethylsulfanyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one is CCSC1=N/C(=C/c2ccco2)C(=O)N1.
What is the InChIKey of (4E)-2-ethylsulfanyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
The InChIKey is XDYAMQJWCFUJOP-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-2-15-10-11-8(9(13)12-10)6-7-4-3-5-14-7/h3-6H,2H2,1H3,(H,11,12,13)/b8-6+.
What are the key properties of (4E)-2-ethylsulfanyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
(4E)-2-ethylsulfanyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one has a molecular weight of 222.27 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-ethylsulfanyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one is sourced from PubChem (CID 135508854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).