2-[[3-[(4-phenylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-1,3-thiazole

C23H22N2O2S — CID 141284089

IUPAC2-[[3-[(4-phenylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-1,3-thiazole
SMILESc1ccc(C2CCN(Cc3coc4cc(Oc5nccs5)ccc34)CC2)cc1
InChIInChI=1S/C23H22N2O2S/c1-2-4-17(5-3-1)18-8-11-25(12-9-18)15-19-16-26-22-14-20(6-7-21(19)22)27-23-24-10-13-28-23/h1-7,10,13-14,16,18H,8-9,11-12,15H2
InChIKeyOMBWWPSOGQNIAC-UHFFFAOYSA-N
MW390.51 g/mol
LogP6.06
Rot. Bonds5

About 2-[[3-[(4-phenylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-1,3-thiazole

2-[[3-[(4-phenylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-1,3-thiazole (PubChem CID 141284089) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-[[3-[(4-phenylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-1,3-thiazole.

Molecular Properties

Compound Name2-[[3-[(4-phenylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-1,3-thiazole
PubChem CID141284089
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC Name2-[[3-[(4-phenylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-1,3-thiazole
SMILESc1ccc(C2CCN(Cc3coc4cc(Oc5nccs5)ccc34)CC2)cc1
InChIInChI=1S/C23H22N2O2S/c1-2-4-17(5-3-1)18-8-11-25(12-9-18)15-19-16-26-22-14-20(6-7-21(19)22)27-23-24-10-13-28-23/h1-7,10,13-14,16,18H,8-9,11-12,15H2
InChIKeyOMBWWPSOGQNIAC-UHFFFAOYSA-N
XLogP6.06
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4-phenylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-1,3-thiazole?
The IUPAC name of 2-[[3-[(4-phenylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-1,3-thiazole (CID 141284089) is 2-[[3-[(4-phenylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-1,3-thiazole.
What is the SMILES notation for 2-[[3-[(4-phenylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-1,3-thiazole?
The canonical SMILES for 2-[[3-[(4-phenylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-1,3-thiazole is c1ccc(C2CCN(Cc3coc4cc(Oc5nccs5)ccc34)CC2)cc1.
What is the InChIKey of 2-[[3-[(4-phenylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-1,3-thiazole?
The InChIKey is OMBWWPSOGQNIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-2-4-17(5-3-1)18-8-11-25(12-9-18)15-19-16-26-22-14-20(6-7-21(19)22)27-23-24-10-13-28-23/h1-7,10,13-14,16,18H,8-9,11-12,15H2.
What are the key properties of 2-[[3-[(4-phenylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-1,3-thiazole?
2-[[3-[(4-phenylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-1,3-thiazole has a molecular weight of 390.51 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4-phenylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-1,3-thiazole is sourced from PubChem (CID 141284089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).