2-[[3-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine

C20H19N3O2S — CID 59577564

IUPAC2-[[3-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine
SMILESc1cnc2nc(Oc3ccc4c(CN5CCCCC5)coc4c3)sc2c1
InChIInChI=1S/C20H19N3O2S/c1-2-9-23(10-3-1)12-14-13-24-17-11-15(6-7-16(14)17)25-20-22-19-18(26-20)5-4-8-21-19/h4-8,11,13H,1-3,9-10,12H2
InChIKeyJIUIVSNALYIYDF-UHFFFAOYSA-N
MW365.46 g/mol
LogP5.22
Rot. Bonds4

About 2-[[3-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine

2-[[3-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 59577564) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[[3-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[[3-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine
PubChem CID59577564
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name2-[[3-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine
SMILESc1cnc2nc(Oc3ccc4c(CN5CCCCC5)coc4c3)sc2c1
InChIInChI=1S/C20H19N3O2S/c1-2-9-23(10-3-1)12-14-13-24-17-11-15(6-7-16(14)17)25-20-22-19-18(26-20)5-4-8-21-19/h4-8,11,13H,1-3,9-10,12H2
InChIKeyJIUIVSNALYIYDF-UHFFFAOYSA-N
XLogP5.22
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.46
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2-[[3-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine (CID 59577564) is 2-[[3-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-[[3-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-[[3-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine is c1cnc2nc(Oc3ccc4c(CN5CCCCC5)coc4c3)sc2c1.
What is the InChIKey of 2-[[3-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is JIUIVSNALYIYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-2-9-23(10-3-1)12-14-13-24-17-11-15(6-7-16(14)17)25-20-22-19-18(26-20)5-4-8-21-19/h4-8,11,13H,1-3,9-10,12H2.
What are the key properties of 2-[[3-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine?
2-[[3-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 365.46 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 59577564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).