3-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione

C12H11N3OS — CID 79289225

IUPAC3-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESS=c1[nH]c2cccnc2n1CCc1ccco1
InChIInChI=1S/C12H11N3OS/c17-12-14-10-4-1-6-13-11(10)15(12)7-5-9-3-2-8-16-9/h1-4,6,8H,5,7H2,(H,14,17)
InChIKeyQQYGNUHNENFCHZ-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.93
Rot. Bonds3

About 3-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione

3-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79289225) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 3-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79289225
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name3-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESS=c1[nH]c2cccnc2n1CCc1ccco1
InChIInChI=1S/C12H11N3OS/c17-12-14-10-4-1-6-13-11(10)15(12)7-5-9-3-2-8-16-9/h1-4,6,8H,5,7H2,(H,14,17)
InChIKeyQQYGNUHNENFCHZ-UHFFFAOYSA-N
XLogP2.93
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.93
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 3-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione (CID 79289225) is 3-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione is S=c1[nH]c2cccnc2n1CCc1ccco1.
What is the InChIKey of 3-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is QQYGNUHNENFCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c17-12-14-10-4-1-6-13-11(10)15(12)7-5-9-3-2-8-16-9/h1-4,6,8H,5,7H2,(H,14,17).
What are the key properties of 3-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
3-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 245.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79289225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).