(5E)-5-[(2-methoxy-4-pyridinyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one

C11H11N3O2S — CID 122186466

IUPAC(5E)-5-[(2-methoxy-4-pyridinyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCOc1cc(/C=C2/NC(=S)N(C)C2=O)ccn1
InChIInChI=1S/C11H11N3O2S/c1-14-10(15)8(13-11(14)17)5-7-3-4-12-9(6-7)16-2/h3-6H,1-2H3,(H,13,17)/b8-5+
InChIKeyFOAMOVZERQGUCL-VMPITWQZSA-N
MW249.30 g/mol
LogP0.78
Rot. Bonds2

About (5E)-5-[(2-methoxy-4-pyridinyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one

(5E)-5-[(2-methoxy-4-pyridinyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 122186466) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is (5E)-5-[(2-methoxy-4-pyridinyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(2-methoxy-4-pyridinyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
PubChem CID122186466
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name(5E)-5-[(2-methoxy-4-pyridinyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCOc1cc(/C=C2/NC(=S)N(C)C2=O)ccn1
InChIInChI=1S/C11H11N3O2S/c1-14-10(15)8(13-11(14)17)5-7-3-4-12-9(6-7)16-2/h3-6H,1-2H3,(H,13,17)/b8-5+
InChIKeyFOAMOVZERQGUCL-VMPITWQZSA-N
XLogP0.78
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5E)-5-[(2-methoxy-4-pyridinyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-methoxy-4-pyridinyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5E)-5-[(2-methoxy-4-pyridinyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one (CID 122186466) is (5E)-5-[(2-methoxy-4-pyridinyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-5-[(2-methoxy-4-pyridinyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-5-[(2-methoxy-4-pyridinyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one is COc1cc(/C=C2/NC(=S)N(C)C2=O)ccn1.
What is the InChIKey of (5E)-5-[(2-methoxy-4-pyridinyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is FOAMOVZERQGUCL-VMPITWQZSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-14-10(15)8(13-11(14)17)5-7-3-4-12-9(6-7)16-2/h3-6H,1-2H3,(H,13,17)/b8-5+.
What are the key properties of (5E)-5-[(2-methoxy-4-pyridinyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one?
(5E)-5-[(2-methoxy-4-pyridinyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 249.30 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2-methoxy-4-pyridinyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 122186466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).