1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione

C6H9N3S — CID 154868588

IUPAC1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione
SMILESS=c1[nH]c2c([nH]1)CNCC2
InChIInChI=1S/C6H9N3S/c10-6-8-4-1-2-7-3-5(4)9-6/h7H,1-3H2,(H2,8,9,10)
InChIKeyNDRFQPPPGGSFAP-UHFFFAOYSA-N
MW155.23 g/mol
LogP0.72
Rot. Bonds

About 1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione

1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione (PubChem CID 154868588) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is 1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione
PubChem CID154868588
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Name1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione
SMILESS=c1[nH]c2c([nH]1)CNCC2
InChIInChI=1S/C6H9N3S/c10-6-8-4-1-2-7-3-5(4)9-6/h7H,1-3H2,(H2,8,9,10)
InChIKeyNDRFQPPPGGSFAP-UHFFFAOYSA-N
XLogP0.72
TPSA43.61 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3,4,5,6,7-hexahydroimidazo[4,5-c]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 1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione (CID 154868588) is 1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione is S=c1[nH]c2c([nH]1)CNCC2.
What is the InChIKey of 1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione?
The InChIKey is NDRFQPPPGGSFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c10-6-8-4-1-2-7-3-5(4)9-6/h7H,1-3H2,(H2,8,9,10).
What are the key properties of 1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione?
1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione has a molecular weight of 155.23 g/mol, XLogP of 0.72, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 154868588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).