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

C18H20N2O2S — CID 141284101

IUPAC2-[[3-[(4-methylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-1,3-thiazole
SMILESCC1CCN(Cc2coc3cc(Oc4nccs4)ccc23)CC1
InChIInChI=1S/C18H20N2O2S/c1-13-4-7-20(8-5-13)11-14-12-21-17-10-15(2-3-16(14)17)22-18-19-6-9-23-18/h2-3,6,9-10,12-13H,4-5,7-8,11H2,1H3
InChIKeyZTFHKRCYXFJNNC-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.91
Rot. Bonds4

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

2-[[3-[(4-methylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-1,3-thiazole (PubChem CID 141284101) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-[[3-[(4-methylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-1,3-thiazole.

Molecular Properties

Compound Name2-[[3-[(4-methylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-1,3-thiazole
PubChem CID141284101
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name2-[[3-[(4-methylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-1,3-thiazole
SMILESCC1CCN(Cc2coc3cc(Oc4nccs4)ccc23)CC1
InChIInChI=1S/C18H20N2O2S/c1-13-4-7-20(8-5-13)11-14-12-21-17-10-15(2-3-16(14)17)22-18-19-6-9-23-18/h2-3,6,9-10,12-13H,4-5,7-8,11H2,1H3
InChIKeyZTFHKRCYXFJNNC-UHFFFAOYSA-N
XLogP4.91
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4-methylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-1,3-thiazole?
The IUPAC name of 2-[[3-[(4-methylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-1,3-thiazole (CID 141284101) is 2-[[3-[(4-methylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-1,3-thiazole.
What is the SMILES notation for 2-[[3-[(4-methylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-1,3-thiazole?
The canonical SMILES for 2-[[3-[(4-methylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-1,3-thiazole is CC1CCN(Cc2coc3cc(Oc4nccs4)ccc23)CC1.
What is the InChIKey of 2-[[3-[(4-methylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-1,3-thiazole?
The InChIKey is ZTFHKRCYXFJNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13-4-7-20(8-5-13)11-14-12-21-17-10-15(2-3-16(14)17)22-18-19-6-9-23-18/h2-3,6,9-10,12-13H,4-5,7-8,11H2,1H3.
What are the key properties of 2-[[3-[(4-methylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-1,3-thiazole?
2-[[3-[(4-methylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-1,3-thiazole has a molecular weight of 328.44 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4-methylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-1,3-thiazole is sourced from PubChem (CID 141284101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).