3-naphthalen-1-yl-2-sulfanylideneimidazolidin-4-one

C13H10N2OS — CID 843351

IUPAC3-naphthalen-1-yl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CNC(=S)N1c1cccc2ccccc12
InChIInChI=1S/C13H10N2OS/c16-12-8-14-13(17)15(12)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,14,17)
InChIKeyKGSGCXMWBVAYPH-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.06
Rot. Bonds1

About 3-naphthalen-1-yl-2-sulfanylideneimidazolidin-4-one

3-naphthalen-1-yl-2-sulfanylideneimidazolidin-4-one (PubChem CID 843351) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-naphthalen-1-yl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-naphthalen-1-yl-2-sulfanylideneimidazolidin-4-one
PubChem CID843351
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name3-naphthalen-1-yl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CNC(=S)N1c1cccc2ccccc12
InChIInChI=1S/C13H10N2OS/c16-12-8-14-13(17)15(12)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,14,17)
InChIKeyKGSGCXMWBVAYPH-UHFFFAOYSA-N
XLogP2.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-naphthalen-1-yl-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 3-naphthalen-1-yl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-naphthalen-1-yl-2-sulfanylideneimidazolidin-4-one (CID 843351) is 3-naphthalen-1-yl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-naphthalen-1-yl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-naphthalen-1-yl-2-sulfanylideneimidazolidin-4-one is O=C1CNC(=S)N1c1cccc2ccccc12.
What is the InChIKey of 3-naphthalen-1-yl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is KGSGCXMWBVAYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c16-12-8-14-13(17)15(12)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,14,17).
What are the key properties of 3-naphthalen-1-yl-2-sulfanylideneimidazolidin-4-one?
3-naphthalen-1-yl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 242.30 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 843351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).