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

C12H10N2OS — CID 24967154

IUPAC1-(5-methylfuran-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione
SMILESCc1ccc(-c2[nH]c(=S)n3ccccc23)o1
InChIInChI=1S/C12H10N2OS/c1-8-5-6-10(15-8)11-9-4-2-3-7-14(9)12(16)13-11/h2-7H,1H3,(H,13,16)
InChIKeySAFJYJSTGASHTE-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.57
Rot. Bonds1

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

1-(5-methylfuran-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione (PubChem CID 24967154) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione
PubChem CID24967154
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name1-(5-methylfuran-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione
SMILESCc1ccc(-c2[nH]c(=S)n3ccccc23)o1
InChIInChI=1S/C12H10N2OS/c1-8-5-6-10(15-8)11-9-4-2-3-7-14(9)12(16)13-11/h2-7H,1H3,(H,13,16)
InChIKeySAFJYJSTGASHTE-UHFFFAOYSA-N
XLogP3.57
TPSA33.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methylfuran-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione?
The IUPAC name of 1-(5-methylfuran-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione (CID 24967154) is 1-(5-methylfuran-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione?
The canonical SMILES for 1-(5-methylfuran-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione is Cc1ccc(-c2[nH]c(=S)n3ccccc23)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione?
The InChIKey is SAFJYJSTGASHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-8-5-6-10(15-8)11-9-4-2-3-7-14(9)12(16)13-11/h2-7H,1H3,(H,13,16).
What are the key properties of 1-(5-methylfuran-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione?
1-(5-methylfuran-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione has a molecular weight of 230.29 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione is sourced from PubChem (CID 24967154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).