2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzothiazole

C20H22N2O2S — CID 24901580

IUPAC2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzothiazole
SMILESc1ccc2sc(Oc3ccc(OCCN4CCCCC4)cc3)nc2c1
InChIInChI=1S/C20H22N2O2S/c1-4-12-22(13-5-1)14-15-23-16-8-10-17(11-9-16)24-20-21-18-6-2-3-7-19(18)25-20/h2-3,6-11H,1,4-5,12-15H2
InChIKeyZFOMZVAPHUXJNT-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.95
Rot. Bonds6

About 2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzothiazole

2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzothiazole (PubChem CID 24901580) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzothiazole
PubChem CID24901580
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzothiazole
SMILESc1ccc2sc(Oc3ccc(OCCN4CCCCC4)cc3)nc2c1
InChIInChI=1S/C20H22N2O2S/c1-4-12-22(13-5-1)14-15-23-16-8-10-17(11-9-16)24-20-21-18-6-2-3-7-19(18)25-20/h2-3,6-11H,1,4-5,12-15H2
InChIKeyZFOMZVAPHUXJNT-UHFFFAOYSA-N
XLogP4.95
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzothiazole?
The IUPAC name of 2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzothiazole (CID 24901580) is 2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzothiazole.
What is the SMILES notation for 2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzothiazole?
The canonical SMILES for 2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzothiazole is c1ccc2sc(Oc3ccc(OCCN4CCCCC4)cc3)nc2c1.
What is the InChIKey of 2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzothiazole?
The InChIKey is ZFOMZVAPHUXJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-4-12-22(13-5-1)14-15-23-16-8-10-17(11-9-16)24-20-21-18-6-2-3-7-19(18)25-20/h2-3,6-11H,1,4-5,12-15H2.
What are the key properties of 2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzothiazole?
2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzothiazole has a molecular weight of 354.48 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzothiazole is sourced from PubChem (CID 24901580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).