2-(furan-2-yl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine

C15H15N3OS — CID 117164214

IUPAC2-(furan-2-yl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1coc(-c2nc3cccnc3n2CC2CCSC2)c1
InChIInChI=1S/C15H15N3OS/c1-3-12-14(16-6-1)18(9-11-5-8-20-10-11)15(17-12)13-4-2-7-19-13/h1-4,6-7,11H,5,8-10H2
InChIKeyQEQDOQIDEUYESV-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.44
Rot. Bonds3

About 2-(furan-2-yl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine

2-(furan-2-yl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117164214) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(furan-2-yl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117164214
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-(furan-2-yl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1coc(-c2nc3cccnc3n2CC2CCSC2)c1
InChIInChI=1S/C15H15N3OS/c1-3-12-14(16-6-1)18(9-11-5-8-20-10-11)15(17-12)13-4-2-7-19-13/h1-4,6-7,11H,5,8-10H2
InChIKeyQEQDOQIDEUYESV-UHFFFAOYSA-N
XLogP3.44
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(furan-2-yl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine (CID 117164214) is 2-(furan-2-yl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(furan-2-yl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(furan-2-yl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine is c1coc(-c2nc3cccnc3n2CC2CCSC2)c1.
What is the InChIKey of 2-(furan-2-yl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is QEQDOQIDEUYESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-3-12-14(16-6-1)18(9-11-5-8-20-10-11)15(17-12)13-4-2-7-19-13/h1-4,6-7,11H,5,8-10H2.
What are the key properties of 2-(furan-2-yl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine?
2-(furan-2-yl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 285.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117164214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).