2-[[2-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-benzothiazole

C21H20N2O2S — CID 59577373

IUPAC2-[[2-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-benzothiazole
SMILESc1ccc2sc(Oc3ccc4cc(CN5CCCCC5)oc4c3)nc2c1
InChIInChI=1S/C21H20N2O2S/c1-4-10-23(11-5-1)14-17-12-15-8-9-16(13-19(15)24-17)25-21-22-18-6-2-3-7-20(18)26-21/h2-3,6-9,12-13H,1,4-5,10-11,14H2
InChIKeyQPQWRRGUTIAUBL-UHFFFAOYSA-N
MW364.47 g/mol
LogP5.82
Rot. Bonds4

About 2-[[2-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-benzothiazole

2-[[2-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-benzothiazole (PubChem CID 59577373) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-[[2-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[[2-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-benzothiazole
PubChem CID59577373
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name2-[[2-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-benzothiazole
SMILESc1ccc2sc(Oc3ccc4cc(CN5CCCCC5)oc4c3)nc2c1
InChIInChI=1S/C21H20N2O2S/c1-4-10-23(11-5-1)14-17-12-15-8-9-16(13-19(15)24-17)25-21-22-18-6-2-3-7-20(18)26-21/h2-3,6-9,12-13H,1,4-5,10-11,14H2
InChIKeyQPQWRRGUTIAUBL-UHFFFAOYSA-N
XLogP5.82
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.47
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-benzothiazole 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-benzothiazole?
The IUPAC name of 2-[[2-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-benzothiazole (CID 59577373) is 2-[[2-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-benzothiazole.
What is the SMILES notation for 2-[[2-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-benzothiazole?
The canonical SMILES for 2-[[2-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-benzothiazole is c1ccc2sc(Oc3ccc4cc(CN5CCCCC5)oc4c3)nc2c1.
What is the InChIKey of 2-[[2-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-benzothiazole?
The InChIKey is QPQWRRGUTIAUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-4-10-23(11-5-1)14-17-12-15-8-9-16(13-19(15)24-17)25-21-22-18-6-2-3-7-20(18)26-21/h2-3,6-9,12-13H,1,4-5,10-11,14H2.
What are the key properties of 2-[[2-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-benzothiazole?
2-[[2-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-benzothiazole has a molecular weight of 364.47 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-benzothiazole is sourced from PubChem (CID 59577373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).