3-ethyl-6-methylsulfanylimidazo[4,5-b]pyridine

C9H11N3S — CID 122659319

IUPAC3-ethyl-6-methylsulfanylimidazo[4,5-b]pyridine
SMILESCCn1cnc2cc(SC)cnc21
InChIInChI=1S/C9H11N3S/c1-3-12-6-11-8-4-7(13-2)5-10-9(8)12/h4-6H,3H2,1-2H3
InChIKeyGBSMWWQALLGMRG-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.17
Rot. Bonds2

About 3-ethyl-6-methylsulfanylimidazo[4,5-b]pyridine

3-ethyl-6-methylsulfanylimidazo[4,5-b]pyridine (PubChem CID 122659319) has the molecular formula C9H11N3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-ethyl-6-methylsulfanylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-ethyl-6-methylsulfanylimidazo[4,5-b]pyridine
PubChem CID122659319
Molecular FormulaC9H11N3S
Molecular Weight193.27 g/mol
Exact Mass193.07
IUPAC Name3-ethyl-6-methylsulfanylimidazo[4,5-b]pyridine
SMILESCCn1cnc2cc(SC)cnc21
InChIInChI=1S/C9H11N3S/c1-3-12-6-11-8-4-7(13-2)5-10-9(8)12/h4-6H,3H2,1-2H3
InChIKeyGBSMWWQALLGMRG-UHFFFAOYSA-N
XLogP2.17
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methylsulfanylimidazo[4,5-b]pyridine?
The IUPAC name of 3-ethyl-6-methylsulfanylimidazo[4,5-b]pyridine (CID 122659319) is 3-ethyl-6-methylsulfanylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-ethyl-6-methylsulfanylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-ethyl-6-methylsulfanylimidazo[4,5-b]pyridine is CCn1cnc2cc(SC)cnc21.
What is the InChIKey of 3-ethyl-6-methylsulfanylimidazo[4,5-b]pyridine?
The InChIKey is GBSMWWQALLGMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-3-12-6-11-8-4-7(13-2)5-10-9(8)12/h4-6H,3H2,1-2H3.
What are the key properties of 3-ethyl-6-methylsulfanylimidazo[4,5-b]pyridine?
3-ethyl-6-methylsulfanylimidazo[4,5-b]pyridine has a molecular weight of 193.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methylsulfanylimidazo[4,5-b]pyridine is sourced from PubChem (CID 122659319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).