3-ethyl-5-methylsulfanyl-2-phenylimidazo[4,5-b]pyridine

C15H15N3S — CID 147552654

IUPAC3-ethyl-5-methylsulfanyl-2-phenylimidazo[4,5-b]pyridine
SMILESCCn1c(-c2ccccc2)nc2ccc(SC)nc21
InChIInChI=1S/C15H15N3S/c1-3-18-14(11-7-5-4-6-8-11)16-12-9-10-13(19-2)17-15(12)18/h4-10H,3H2,1-2H3
InChIKeyFRBMOBYFZNJBLB-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.84
Rot. Bonds3

About 3-ethyl-5-methylsulfanyl-2-phenylimidazo[4,5-b]pyridine

3-ethyl-5-methylsulfanyl-2-phenylimidazo[4,5-b]pyridine (PubChem CID 147552654) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-ethyl-5-methylsulfanyl-2-phenylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-ethyl-5-methylsulfanyl-2-phenylimidazo[4,5-b]pyridine
PubChem CID147552654
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name3-ethyl-5-methylsulfanyl-2-phenylimidazo[4,5-b]pyridine
SMILESCCn1c(-c2ccccc2)nc2ccc(SC)nc21
InChIInChI=1S/C15H15N3S/c1-3-18-14(11-7-5-4-6-8-11)16-12-9-10-13(19-2)17-15(12)18/h4-10H,3H2,1-2H3
InChIKeyFRBMOBYFZNJBLB-UHFFFAOYSA-N
XLogP3.84
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methylsulfanyl-2-phenylimidazo[4,5-b]pyridine?
The IUPAC name of 3-ethyl-5-methylsulfanyl-2-phenylimidazo[4,5-b]pyridine (CID 147552654) is 3-ethyl-5-methylsulfanyl-2-phenylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-ethyl-5-methylsulfanyl-2-phenylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-ethyl-5-methylsulfanyl-2-phenylimidazo[4,5-b]pyridine is CCn1c(-c2ccccc2)nc2ccc(SC)nc21.
What is the InChIKey of 3-ethyl-5-methylsulfanyl-2-phenylimidazo[4,5-b]pyridine?
The InChIKey is FRBMOBYFZNJBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-3-18-14(11-7-5-4-6-8-11)16-12-9-10-13(19-2)17-15(12)18/h4-10H,3H2,1-2H3.
What are the key properties of 3-ethyl-5-methylsulfanyl-2-phenylimidazo[4,5-b]pyridine?
3-ethyl-5-methylsulfanyl-2-phenylimidazo[4,5-b]pyridine has a molecular weight of 269.37 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methylsulfanyl-2-phenylimidazo[4,5-b]pyridine is sourced from PubChem (CID 147552654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).