(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

C12H13N3O3S — CID 126021608

IUPAC(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N/C1=C/c1ccc(N2CCOCC2)o1
InChIInChI=1S/C12H13N3O3S/c16-11-9(13-12(19)14-11)7-8-1-2-10(18-8)15-3-5-17-6-4-15/h1-2,7H,3-6H2,(H2,13,14,16,19)/b9-7+
InChIKeyRIMSQAXUGXKBBZ-VQHVLOKHSA-N
MW279.32 g/mol
LogP0.46
Rot. Bonds2

About (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 126021608) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID126021608
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N/C1=C/c1ccc(N2CCOCC2)o1
InChIInChI=1S/C12H13N3O3S/c16-11-9(13-12(19)14-11)7-8-1-2-10(18-8)15-3-5-17-6-4-15/h1-2,7H,3-6H2,(H2,13,14,16,19)/b9-7+
InChIKeyRIMSQAXUGXKBBZ-VQHVLOKHSA-N
XLogP0.46
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.46
H-Bond Donors ≤ 52
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 (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 126021608) is (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is O=C1NC(=S)N/C1=C/c1ccc(N2CCOCC2)o1.
What is the InChIKey of (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is RIMSQAXUGXKBBZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H13N3O3S/c16-11-9(13-12(19)14-11)7-8-1-2-10(18-8)15-3-5-17-6-4-15/h1-2,7H,3-6H2,(H2,13,14,16,19)/b9-7+.
What are the key properties of (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 279.32 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 126021608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).