(5Z)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one

C13H12N2O2S — CID 2057001

IUPAC(5Z)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCOc1ccc(/C=C/C=C2\NC(=S)NC2=O)cc1
InChIInChI=1S/C13H12N2O2S/c1-17-10-7-5-9(6-8-10)3-2-4-11-12(16)15-13(18)14-11/h2-8H,1H3,(H2,14,15,16,18)/b3-2+,11-4-
InChIKeyYICHONBJSXGNDV-ICKRUQPGSA-N
MW260.32 g/mol
LogP1.60
Rot. Bonds3

About (5Z)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one

(5Z)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 2057001) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is (5Z)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID2057001
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name(5Z)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCOc1ccc(/C=C/C=C2\NC(=S)NC2=O)cc1
InChIInChI=1S/C13H12N2O2S/c1-17-10-7-5-9(6-8-10)3-2-4-11-12(16)15-13(18)14-11/h2-8H,1H3,(H2,14,15,16,18)/b3-2+,11-4-
InChIKeyYICHONBJSXGNDV-ICKRUQPGSA-N
XLogP1.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5Z)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-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 (5Z)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one (CID 2057001) is (5Z)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one is COc1ccc(/C=C/C=C2\NC(=S)NC2=O)cc1.
What is the InChIKey of (5Z)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is YICHONBJSXGNDV-ICKRUQPGSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-17-10-7-5-9(6-8-10)3-2-4-11-12(16)15-13(18)14-11/h2-8H,1H3,(H2,14,15,16,18)/b3-2+,11-4-.
What are the key properties of (5Z)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 260.32 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 2057001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).