2-(2-piperidin-2-ylethoxy)-1,3-benzothiazole;hydrochloride

C14H19ClN2OS — CID 71636566

IUPAC2-(2-piperidin-2-ylethoxy)-1,3-benzothiazole;hydrochloride
SMILESCl.c1ccc2sc(OCCC3CCCCN3)nc2c1
InChIInChI=1S/C14H18N2OS.ClH/c1-2-7-13-12(6-1)16-14(18-13)17-10-8-11-5-3-4-9-15-11;/h1-2,6-7,11,15H,3-5,8-10H2;1H
InChIKeyPWDHJUQPWLDGHN-UHFFFAOYSA-N
MW298.84 g/mol
LogP3.63
Rot. Bonds4

About 2-(2-piperidin-2-ylethoxy)-1,3-benzothiazole;hydrochloride

2-(2-piperidin-2-ylethoxy)-1,3-benzothiazole;hydrochloride (PubChem CID 71636566) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 2-(2-piperidin-2-ylethoxy)-1,3-benzothiazole;hydrochloride.

Molecular Properties

Compound Name2-(2-piperidin-2-ylethoxy)-1,3-benzothiazole;hydrochloride
PubChem CID71636566
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name2-(2-piperidin-2-ylethoxy)-1,3-benzothiazole;hydrochloride
SMILESCl.c1ccc2sc(OCCC3CCCCN3)nc2c1
InChIInChI=1S/C14H18N2OS.ClH/c1-2-7-13-12(6-1)16-14(18-13)17-10-8-11-5-3-4-9-15-11;/h1-2,6-7,11,15H,3-5,8-10H2;1H
InChIKeyPWDHJUQPWLDGHN-UHFFFAOYSA-N
XLogP3.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(piperidin-2-ylmethoxy)-1,3-benzothiazole;hydrochloride
CID 71636954
3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole
CID 71636570
3-(2-piperidin-2-ylethoxy)-2,1-benzothiazole
CID 66355743
3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole;hydrochloride
CID 71636569
2-(2-piperidin-2-ylethoxy)quinoxaline
CID 62359871
2-(pyrrolidin-2-ylmethyl)-1,3-benzothiazole
CID 61370741
2-(azepan-2-yl)-1-(1,3-benzothiazol-2-yl)ethanone
CID 79537658
3-(2-piperidin-2-ylethoxy)pyridine;hydrochloride
CID 56830402
(2S)-2-[2-(4-phenylphenoxy)ethyl]piperidine
CID 28749943
2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride
CID 56830376
2-(pyrrolidin-3-ylmethoxy)-1,3-benzothiazole
CID 62372647
2-[2-(2-phenylphenoxy)ethyl]piperidine
CID 43149968

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-2-ylethoxy)-1,3-benzothiazole;hydrochloride?
The IUPAC name of 2-(2-piperidin-2-ylethoxy)-1,3-benzothiazole;hydrochloride (CID 71636566) is 2-(2-piperidin-2-ylethoxy)-1,3-benzothiazole;hydrochloride.
What is the SMILES notation for 2-(2-piperidin-2-ylethoxy)-1,3-benzothiazole;hydrochloride?
The canonical SMILES for 2-(2-piperidin-2-ylethoxy)-1,3-benzothiazole;hydrochloride is Cl.c1ccc2sc(OCCC3CCCCN3)nc2c1.
What is the InChIKey of 2-(2-piperidin-2-ylethoxy)-1,3-benzothiazole;hydrochloride?
The InChIKey is PWDHJUQPWLDGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS.ClH/c1-2-7-13-12(6-1)16-14(18-13)17-10-8-11-5-3-4-9-15-11;/h1-2,6-7,11,15H,3-5,8-10H2;1H.
What are the key properties of 2-(2-piperidin-2-ylethoxy)-1,3-benzothiazole;hydrochloride?
2-(2-piperidin-2-ylethoxy)-1,3-benzothiazole;hydrochloride has a molecular weight of 298.84 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-2-ylethoxy)-1,3-benzothiazole;hydrochloride is sourced from PubChem (CID 71636566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).