3-sulfanylidene-5H-imidazo[1,5-a]pyridin-1-one

C7H6N2OS — CID 90958315

IUPAC3-sulfanylidene-5H-imidazo[1,5-a]pyridin-1-one
SMILESO=C1NC(=S)N2CC=CC=C12
InChIInChI=1S/C7H6N2OS/c10-6-5-3-1-2-4-9(5)7(11)8-6/h1-3H,4H2,(H,8,10,11)
InChIKeyBWFXCSFLQBMTOZ-UHFFFAOYSA-N
MW166.21 g/mol
LogP0.16
Rot. Bonds

About 3-sulfanylidene-5H-imidazo[1,5-a]pyridin-1-one

3-sulfanylidene-5H-imidazo[1,5-a]pyridin-1-one (PubChem CID 90958315) has the molecular formula C7H6N2OS and a molecular weight of 166.21 g/mol. Its IUPAC name is 3-sulfanylidene-5H-imidazo[1,5-a]pyridin-1-one.

Molecular Properties

Compound Name3-sulfanylidene-5H-imidazo[1,5-a]pyridin-1-one
PubChem CID90958315
Molecular FormulaC7H6N2OS
Molecular Weight166.21 g/mol
Exact Mass166.02
IUPAC Name3-sulfanylidene-5H-imidazo[1,5-a]pyridin-1-one
SMILESO=C1NC(=S)N2CC=CC=C12
InChIInChI=1S/C7H6N2OS/c10-6-5-3-1-2-4-9(5)7(11)8-6/h1-3H,4H2,(H,8,10,11)
InChIKeyBWFXCSFLQBMTOZ-UHFFFAOYSA-N
XLogP0.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-sulfanylidene-5H-imidazo[1,5-a]pyridin-1-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-sulfanylidene-5H-imidazo[1,5-a]pyridin-1-one?
The IUPAC name of 3-sulfanylidene-5H-imidazo[1,5-a]pyridin-1-one (CID 90958315) is 3-sulfanylidene-5H-imidazo[1,5-a]pyridin-1-one.
What is the SMILES notation for 3-sulfanylidene-5H-imidazo[1,5-a]pyridin-1-one?
The canonical SMILES for 3-sulfanylidene-5H-imidazo[1,5-a]pyridin-1-one is O=C1NC(=S)N2CC=CC=C12.
What is the InChIKey of 3-sulfanylidene-5H-imidazo[1,5-a]pyridin-1-one?
The InChIKey is BWFXCSFLQBMTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c10-6-5-3-1-2-4-9(5)7(11)8-6/h1-3H,4H2,(H,8,10,11).
What are the key properties of 3-sulfanylidene-5H-imidazo[1,5-a]pyridin-1-one?
3-sulfanylidene-5H-imidazo[1,5-a]pyridin-1-one has a molecular weight of 166.21 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanylidene-5H-imidazo[1,5-a]pyridin-1-one is sourced from PubChem (CID 90958315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).