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

C11H8N2OS — CID 24967153

IUPAC1-(furan-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione
SMILESS=c1[nH]c(-c2ccco2)c2ccccn12
InChIInChI=1S/C11H8N2OS/c15-11-12-10(9-5-3-7-14-9)8-4-1-2-6-13(8)11/h1-7H,(H,12,15)
InChIKeyPFUZUVSFNSMPFX-UHFFFAOYSA-N
MW216.27 g/mol
LogP3.26
Rot. Bonds1

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

1-(furan-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione (PubChem CID 24967153) has the molecular formula C11H8N2OS and a molecular weight of 216.27 g/mol. Its IUPAC name is 1-(furan-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione.

Molecular Properties

Compound Name1-(furan-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione
PubChem CID24967153
Molecular FormulaC11H8N2OS
Molecular Weight216.27 g/mol
Exact Mass216.04
IUPAC Name1-(furan-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione
SMILESS=c1[nH]c(-c2ccco2)c2ccccn12
InChIInChI=1S/C11H8N2OS/c15-11-12-10(9-5-3-7-14-9)8-4-1-2-6-13(8)11/h1-7H,(H,12,15)
InChIKeyPFUZUVSFNSMPFX-UHFFFAOYSA-N
XLogP3.26
TPSA33.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 53.26
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-(furan-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione?
The IUPAC name of 1-(furan-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione (CID 24967153) is 1-(furan-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione.
What is the SMILES notation for 1-(furan-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione?
The canonical SMILES for 1-(furan-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione is S=c1[nH]c(-c2ccco2)c2ccccn12.
What is the InChIKey of 1-(furan-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione?
The InChIKey is PFUZUVSFNSMPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS/c15-11-12-10(9-5-3-7-14-9)8-4-1-2-6-13(8)11/h1-7H,(H,12,15).
What are the key properties of 1-(furan-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione?
1-(furan-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione has a molecular weight of 216.27 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2H-imidazo[1,5-a]pyridine-3-thione is sourced from PubChem (CID 24967153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).