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

C20H19N3O2S — CID 59577628

IUPAC2-[[2-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine
SMILESc1cnc2nc(Oc3ccc4cc(CN5CCCCC5)oc4c3)sc2c1
InChIInChI=1S/C20H19N3O2S/c1-2-9-23(10-3-1)13-16-11-14-6-7-15(12-17(14)24-16)25-20-22-19-18(26-20)5-4-8-21-19/h4-8,11-12H,1-3,9-10,13H2
InChIKeySHQARKWHJUQQBE-UHFFFAOYSA-N
MW365.46 g/mol
LogP5.22
Rot. Bonds4

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

2-[[2-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 59577628) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[[2-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[[2-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine
PubChem CID59577628
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name2-[[2-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine
SMILESc1cnc2nc(Oc3ccc4cc(CN5CCCCC5)oc4c3)sc2c1
InChIInChI=1S/C20H19N3O2S/c1-2-9-23(10-3-1)13-16-11-14-6-7-15(12-17(14)24-16)25-20-22-19-18(26-20)5-4-8-21-19/h4-8,11-12H,1-3,9-10,13H2
InChIKeySHQARKWHJUQQBE-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2-[[2-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine (CID 59577628) is 2-[[2-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-[[2-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-[[2-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine is c1cnc2nc(Oc3ccc4cc(CN5CCCCC5)oc4c3)sc2c1.
What is the InChIKey of 2-[[2-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is SHQARKWHJUQQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-2-9-23(10-3-1)13-16-11-14-6-7-15(12-17(14)24-16)25-20-22-19-18(26-20)5-4-8-21-19/h4-8,11-12H,1-3,9-10,13H2.
What are the key properties of 2-[[2-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine?
2-[[2-(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-[[2-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 59577628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).