5-(azetidin-3-yloxy)-1H-pyridine-2-thione

C8H10N2OS — CID 91522548

IUPAC5-(azetidin-3-yloxy)-1H-pyridine-2-thione
SMILESS=c1ccc(OC2CNC2)c[nH]1
InChIInChI=1S/C8H10N2OS/c12-8-2-1-6(5-10-8)11-7-3-9-4-7/h1-2,5,7,9H,3-4H2,(H,10,12)
InChIKeyYHIMBZKIZQSXRQ-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.09
Rot. Bonds2

About 5-(azetidin-3-yloxy)-1H-pyridine-2-thione

5-(azetidin-3-yloxy)-1H-pyridine-2-thione (PubChem CID 91522548) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 5-(azetidin-3-yloxy)-1H-pyridine-2-thione.

Molecular Properties

Compound Name5-(azetidin-3-yloxy)-1H-pyridine-2-thione
PubChem CID91522548
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name5-(azetidin-3-yloxy)-1H-pyridine-2-thione
SMILESS=c1ccc(OC2CNC2)c[nH]1
InChIInChI=1S/C8H10N2OS/c12-8-2-1-6(5-10-8)11-7-3-9-4-7/h1-2,5,7,9H,3-4H2,(H,10,12)
InChIKeyYHIMBZKIZQSXRQ-UHFFFAOYSA-N
XLogP1.09
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(azetidin-3-yloxy)-1H-pyridine-2-thione 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 5-(azetidin-3-yloxy)-1H-pyridine-2-thione?
The IUPAC name of 5-(azetidin-3-yloxy)-1H-pyridine-2-thione (CID 91522548) is 5-(azetidin-3-yloxy)-1H-pyridine-2-thione.
What is the SMILES notation for 5-(azetidin-3-yloxy)-1H-pyridine-2-thione?
The canonical SMILES for 5-(azetidin-3-yloxy)-1H-pyridine-2-thione is S=c1ccc(OC2CNC2)c[nH]1.
What is the InChIKey of 5-(azetidin-3-yloxy)-1H-pyridine-2-thione?
The InChIKey is YHIMBZKIZQSXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c12-8-2-1-6(5-10-8)11-7-3-9-4-7/h1-2,5,7,9H,3-4H2,(H,10,12).
What are the key properties of 5-(azetidin-3-yloxy)-1H-pyridine-2-thione?
5-(azetidin-3-yloxy)-1H-pyridine-2-thione has a molecular weight of 182.25 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yloxy)-1H-pyridine-2-thione is sourced from PubChem (CID 91522548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).