1-(5-methoxyfuran-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione

C12H10N2O2S — CID 24967515

IUPAC1-(5-methoxyfuran-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione
SMILESCOc1ccc(-c2[nH]c(=S)n3ccccc23)o1
InChIInChI=1S/C12H10N2O2S/c1-15-10-6-5-9(16-10)11-8-4-2-3-7-14(8)12(17)13-11/h2-7H,1H3,(H,13,17)
InChIKeyTZJHABGVRLQKTQ-UHFFFAOYSA-N
MW246.29 g/mol
LogP3.27
Rot. Bonds2

About 1-(5-methoxyfuran-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione

1-(5-methoxyfuran-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione (PubChem CID 24967515) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is 1-(5-methoxyfuran-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione.

Molecular Properties

Compound Name1-(5-methoxyfuran-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione
PubChem CID24967515
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC Name1-(5-methoxyfuran-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione
SMILESCOc1ccc(-c2[nH]c(=S)n3ccccc23)o1
InChIInChI=1S/C12H10N2O2S/c1-15-10-6-5-9(16-10)11-8-4-2-3-7-14(8)12(17)13-11/h2-7H,1H3,(H,13,17)
InChIKeyTZJHABGVRLQKTQ-UHFFFAOYSA-N
XLogP3.27
TPSA42.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5-methoxyfuran-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione?
The IUPAC name of 1-(5-methoxyfuran-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione (CID 24967515) is 1-(5-methoxyfuran-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione.
What is the SMILES notation for 1-(5-methoxyfuran-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione?
The canonical SMILES for 1-(5-methoxyfuran-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione is COc1ccc(-c2[nH]c(=S)n3ccccc23)o1.
What is the InChIKey of 1-(5-methoxyfuran-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione?
The InChIKey is TZJHABGVRLQKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c1-15-10-6-5-9(16-10)11-8-4-2-3-7-14(8)12(17)13-11/h2-7H,1H3,(H,13,17).
What are the key properties of 1-(5-methoxyfuran-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione?
1-(5-methoxyfuran-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione has a molecular weight of 246.29 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxyfuran-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione is sourced from PubChem (CID 24967515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).