(5Z)-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one

C12H14N2O2S — CID 5411557

IUPAC(5Z)-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one
SMILESCC(C)CN1C(=O)/C(=C/c2ccco2)NC1=S
InChIInChI=1S/C12H14N2O2S/c1-8(2)7-14-11(15)10(13-12(14)17)6-9-4-3-5-16-9/h3-6,8H,7H2,1-2H3,(H,13,17)/b10-6-
InChIKeyDWFKLWSUAGGBQY-POHAHGRESA-N
MW250.32 g/mol
LogP1.99
Rot. Bonds3

About (5Z)-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one

(5Z)-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 5411557) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is (5Z)-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID5411557
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name(5Z)-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one
SMILESCC(C)CN1C(=O)/C(=C/c2ccco2)NC1=S
InChIInChI=1S/C12H14N2O2S/c1-8(2)7-14-11(15)10(13-12(14)17)6-9-4-3-5-16-9/h3-6,8H,7H2,1-2H3,(H,13,17)/b10-6-
InChIKeyDWFKLWSUAGGBQY-POHAHGRESA-N
XLogP1.99
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one (CID 5411557) is (5Z)-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one is CC(C)CN1C(=O)/C(=C/c2ccco2)NC1=S.
What is the InChIKey of (5Z)-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is DWFKLWSUAGGBQY-POHAHGRESA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-8(2)7-14-11(15)10(13-12(14)17)6-9-4-3-5-16-9/h3-6,8H,7H2,1-2H3,(H,13,17)/b10-6-.
What are the key properties of (5Z)-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 250.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 5411557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).