2,5,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridine-3-thione

C7H10N2S — CID 58724330

IUPAC2,5,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridine-3-thione
SMILESS=C1NCC2CC=CCN12
InChIInChI=1S/C7H10N2S/c10-7-8-5-6-3-1-2-4-9(6)7/h1-2,6H,3-5H2,(H,8,10)
InChIKeyDNCURGQYAAPEDH-UHFFFAOYSA-N
MW154.24 g/mol
LogP0.50
Rot. Bonds

About 2,5,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridine-3-thione

2,5,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridine-3-thione (PubChem CID 58724330) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 2,5,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridine-3-thione.

Molecular Properties

Compound Name2,5,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridine-3-thione
PubChem CID58724330
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name2,5,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridine-3-thione
SMILESS=C1NCC2CC=CCN12
InChIInChI=1S/C7H10N2S/c10-7-8-5-6-3-1-2-4-9(6)7/h1-2,6H,3-5H2,(H,8,10)
InChIKeyDNCURGQYAAPEDH-UHFFFAOYSA-N
XLogP0.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridine-3-thione?
The IUPAC name of 2,5,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridine-3-thione (CID 58724330) is 2,5,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridine-3-thione.
What is the SMILES notation for 2,5,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridine-3-thione?
The canonical SMILES for 2,5,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridine-3-thione is S=C1NCC2CC=CCN12.
What is the InChIKey of 2,5,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridine-3-thione?
The InChIKey is DNCURGQYAAPEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c10-7-8-5-6-3-1-2-4-9(6)7/h1-2,6H,3-5H2,(H,8,10).
What are the key properties of 2,5,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridine-3-thione?
2,5,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridine-3-thione has a molecular weight of 154.24 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridine-3-thione is sourced from PubChem (CID 58724330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).