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

C13H15N3O3S — CID 5469472

IUPAC(5Z)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1/C(=C/c2ccco2)NC(=S)N1CN1CCOCC1
InChIInChI=1S/C13H15N3O3S/c17-12-11(8-10-2-1-5-19-10)14-13(20)16(12)9-15-3-6-18-7-4-15/h1-2,5,8H,3-4,6-7,9H2,(H,14,20)/b11-8-
InChIKeyGSXGKNJJORBETF-FLIBITNWSA-N
MW293.35 g/mol
LogP0.63
Rot. Bonds3

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

(5Z)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 5469472) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is (5Z)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID5469472
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name(5Z)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1/C(=C/c2ccco2)NC(=S)N1CN1CCOCC1
InChIInChI=1S/C13H15N3O3S/c17-12-11(8-10-2-1-5-19-10)14-13(20)16(12)9-15-3-6-18-7-4-15/h1-2,5,8H,3-4,6-7,9H2,(H,14,20)/b11-8-
InChIKeyGSXGKNJJORBETF-FLIBITNWSA-N
XLogP0.63
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one (CID 5469472) is (5Z)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one is O=C1/C(=C/c2ccco2)NC(=S)N1CN1CCOCC1.
What is the InChIKey of (5Z)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is GSXGKNJJORBETF-FLIBITNWSA-N. The full InChI is InChI=1S/C13H15N3O3S/c17-12-11(8-10-2-1-5-19-10)14-13(20)16(12)9-15-3-6-18-7-4-15/h1-2,5,8H,3-4,6-7,9H2,(H,14,20)/b11-8-.
What are the key properties of (5Z)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 293.35 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 5469472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).