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

C11H14N2S — CID 24967147

IUPAC1-butyl-2H-imidazo[1,5-a]pyridine-3-thione
SMILESCCCCc1[nH]c(=S)n2ccccc12
InChIInChI=1S/C11H14N2S/c1-2-3-6-9-10-7-4-5-8-13(10)11(14)12-9/h4-5,7-8H,2-3,6H2,1H3,(H,12,14)
InChIKeyFGFUXDHIQNWYGM-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.34
Rot. Bonds3

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

1-butyl-2H-imidazo[1,5-a]pyridine-3-thione (PubChem CID 24967147) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-butyl-2H-imidazo[1,5-a]pyridine-3-thione.

Molecular Properties

Compound Name1-butyl-2H-imidazo[1,5-a]pyridine-3-thione
PubChem CID24967147
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name1-butyl-2H-imidazo[1,5-a]pyridine-3-thione
SMILESCCCCc1[nH]c(=S)n2ccccc12
InChIInChI=1S/C11H14N2S/c1-2-3-6-9-10-7-4-5-8-13(10)11(14)12-9/h4-5,7-8H,2-3,6H2,1H3,(H,12,14)
InChIKeyFGFUXDHIQNWYGM-UHFFFAOYSA-N
XLogP3.34
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2H-imidazo[1,5-a]pyridine-3-thione?
The IUPAC name of 1-butyl-2H-imidazo[1,5-a]pyridine-3-thione (CID 24967147) is 1-butyl-2H-imidazo[1,5-a]pyridine-3-thione.
What is the SMILES notation for 1-butyl-2H-imidazo[1,5-a]pyridine-3-thione?
The canonical SMILES for 1-butyl-2H-imidazo[1,5-a]pyridine-3-thione is CCCCc1[nH]c(=S)n2ccccc12.
What is the InChIKey of 1-butyl-2H-imidazo[1,5-a]pyridine-3-thione?
The InChIKey is FGFUXDHIQNWYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-2-3-6-9-10-7-4-5-8-13(10)11(14)12-9/h4-5,7-8H,2-3,6H2,1H3,(H,12,14).
What are the key properties of 1-butyl-2H-imidazo[1,5-a]pyridine-3-thione?
1-butyl-2H-imidazo[1,5-a]pyridine-3-thione has a molecular weight of 206.31 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2H-imidazo[1,5-a]pyridine-3-thione is sourced from PubChem (CID 24967147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).