5-methoxy-1,3-dihydroimidazo[4,5-b]pyridine-2-thione

C7H7N3OS — CID 11126879

IUPAC5-methoxy-1,3-dihydroimidazo[4,5-b]pyridine-2-thione
SMILESCOc1ccc2[nH]c(=S)[nH]c2n1
InChIInChI=1S/C7H7N3OS/c1-11-5-3-2-4-6(9-5)10-7(12)8-4/h2-3H,1H3,(H2,8,9,10,12)
InChIKeyPNYFSMIUARCIRR-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.63
Rot. Bonds1

About 5-methoxy-1,3-dihydroimidazo[4,5-b]pyridine-2-thione

5-methoxy-1,3-dihydroimidazo[4,5-b]pyridine-2-thione (PubChem CID 11126879) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is 5-methoxy-1,3-dihydroimidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name5-methoxy-1,3-dihydroimidazo[4,5-b]pyridine-2-thione
PubChem CID11126879
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name5-methoxy-1,3-dihydroimidazo[4,5-b]pyridine-2-thione
SMILESCOc1ccc2[nH]c(=S)[nH]c2n1
InChIInChI=1S/C7H7N3OS/c1-11-5-3-2-4-6(9-5)10-7(12)8-4/h2-3H,1H3,(H2,8,9,10,12)
InChIKeyPNYFSMIUARCIRR-UHFFFAOYSA-N
XLogP1.63
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methoxy-1,3-dihydroimidazo[4,5-b]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-methoxy-1,3-dihydroimidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 5-methoxy-1,3-dihydroimidazo[4,5-b]pyridine-2-thione (CID 11126879) is 5-methoxy-1,3-dihydroimidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 5-methoxy-1,3-dihydroimidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 5-methoxy-1,3-dihydroimidazo[4,5-b]pyridine-2-thione is COc1ccc2[nH]c(=S)[nH]c2n1.
What is the InChIKey of 5-methoxy-1,3-dihydroimidazo[4,5-b]pyridine-2-thione?
The InChIKey is PNYFSMIUARCIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c1-11-5-3-2-4-6(9-5)10-7(12)8-4/h2-3H,1H3,(H2,8,9,10,12).
What are the key properties of 5-methoxy-1,3-dihydroimidazo[4,5-b]pyridine-2-thione?
5-methoxy-1,3-dihydroimidazo[4,5-b]pyridine-2-thione has a molecular weight of 181.22 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,3-dihydroimidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 11126879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).