(5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one

C9H8N2OS2 — CID 56950035

IUPAC(5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one
SMILESC/C(=C1/NC(=S)NC1=O)c1cccs1
InChIInChI=1S/C9H8N2OS2/c1-5(6-3-2-4-14-6)7-8(12)11-9(13)10-7/h2-4H,1H3,(H2,10,11,12,13)/b7-5-
InChIKeyMEYXDSARYAPJFE-ALCCZGGFSA-N
MW224.31 g/mol
LogP1.48
Rot. Bonds1

About (5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one

(5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one (PubChem CID 56950035) has the molecular formula C9H8N2OS2 and a molecular weight of 224.31 g/mol. Its IUPAC name is (5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one
PubChem CID56950035
Molecular FormulaC9H8N2OS2
Molecular Weight224.31 g/mol
Exact Mass224.01
IUPAC Name(5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one
SMILESC/C(=C1/NC(=S)NC1=O)c1cccs1
InChIInChI=1S/C9H8N2OS2/c1-5(6-3-2-4-14-6)7-8(12)11-9(13)10-7/h2-4H,1H3,(H2,10,11,12,13)/b7-5-
InChIKeyMEYXDSARYAPJFE-ALCCZGGFSA-N
XLogP1.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.48
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)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-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)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one?
The IUPAC name of (5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one (CID 56950035) is (5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one.
What is the SMILES notation for (5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one?
The canonical SMILES for (5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one is C/C(=C1/NC(=S)NC1=O)c1cccs1.
What is the InChIKey of (5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one?
The InChIKey is MEYXDSARYAPJFE-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H8N2OS2/c1-5(6-3-2-4-14-6)7-8(12)11-9(13)10-7/h2-4H,1H3,(H2,10,11,12,13)/b7-5-.
What are the key properties of (5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one?
(5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one has a molecular weight of 224.31 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one is sourced from PubChem (CID 56950035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).