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

C15H19N3OS — CID 117162355

IUPAC3-(oxan-2-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(C1CCCS1)n2C1CCCCO1
InChIInChI=1S/C15H19N3OS/c1-2-9-19-13(7-1)18-14-11(5-3-8-16-14)17-15(18)12-6-4-10-20-12/h3,5,8,12-13H,1-2,4,6-7,9-10H2
InChIKeyBXIFHMMAFWMMRR-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.70
Rot. Bonds2

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

3-(oxan-2-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117162355) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-(oxan-2-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(oxan-2-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
PubChem CID117162355
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name3-(oxan-2-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(C1CCCS1)n2C1CCCCO1
InChIInChI=1S/C15H19N3OS/c1-2-9-19-13(7-1)18-14-11(5-3-8-16-14)17-15(18)12-6-4-10-20-12/h3,5,8,12-13H,1-2,4,6-7,9-10H2
InChIKeyBXIFHMMAFWMMRR-UHFFFAOYSA-N
XLogP3.70
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(oxan-2-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine (CID 117162355) is 3-(oxan-2-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(oxan-2-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(oxan-2-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine is c1cnc2c(c1)nc(C1CCCS1)n2C1CCCCO1.
What is the InChIKey of 3-(oxan-2-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is BXIFHMMAFWMMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-9-19-13(7-1)18-14-11(5-3-8-16-14)17-15(18)12-6-4-10-20-12/h3,5,8,12-13H,1-2,4,6-7,9-10H2.
What are the key properties of 3-(oxan-2-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
3-(oxan-2-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 289.40 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117162355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).