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

C9H10N2S — CID 24966797

IUPAC1-ethyl-2H-imidazo[1,5-a]pyridine-3-thione
SMILESCCc1[nH]c(=S)n2ccccc12
InChIInChI=1S/C9H10N2S/c1-2-7-8-5-3-4-6-11(8)9(12)10-7/h3-6H,2H2,1H3,(H,10,12)
InChIKeyAGONAKMVNOMLEA-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.56
Rot. Bonds1

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

1-ethyl-2H-imidazo[1,5-a]pyridine-3-thione (PubChem CID 24966797) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 1-ethyl-2H-imidazo[1,5-a]pyridine-3-thione.

Molecular Properties

Compound Name1-ethyl-2H-imidazo[1,5-a]pyridine-3-thione
PubChem CID24966797
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name1-ethyl-2H-imidazo[1,5-a]pyridine-3-thione
SMILESCCc1[nH]c(=S)n2ccccc12
InChIInChI=1S/C9H10N2S/c1-2-7-8-5-3-4-6-11(8)9(12)10-7/h3-6H,2H2,1H3,(H,10,12)
InChIKeyAGONAKMVNOMLEA-UHFFFAOYSA-N
XLogP2.56
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.56
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-ethyl-2H-imidazo[1,5-a]pyridine-3-thione?
The IUPAC name of 1-ethyl-2H-imidazo[1,5-a]pyridine-3-thione (CID 24966797) is 1-ethyl-2H-imidazo[1,5-a]pyridine-3-thione.
What is the SMILES notation for 1-ethyl-2H-imidazo[1,5-a]pyridine-3-thione?
The canonical SMILES for 1-ethyl-2H-imidazo[1,5-a]pyridine-3-thione is CCc1[nH]c(=S)n2ccccc12.
What is the InChIKey of 1-ethyl-2H-imidazo[1,5-a]pyridine-3-thione?
The InChIKey is AGONAKMVNOMLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-2-7-8-5-3-4-6-11(8)9(12)10-7/h3-6H,2H2,1H3,(H,10,12).
What are the key properties of 1-ethyl-2H-imidazo[1,5-a]pyridine-3-thione?
1-ethyl-2H-imidazo[1,5-a]pyridine-3-thione has a molecular weight of 178.26 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2H-imidazo[1,5-a]pyridine-3-thione is sourced from PubChem (CID 24966797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).