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

C13H17ClN2OS — CID 71636954

IUPAC2-(piperidin-2-ylmethoxy)-1,3-benzothiazole;hydrochloride
SMILESCl.c1ccc2sc(OCC3CCCCN3)nc2c1
InChIInChI=1S/C13H16N2OS.ClH/c1-2-7-12-11(6-1)15-13(17-12)16-9-10-5-3-4-8-14-10;/h1-2,6-7,10,14H,3-5,8-9H2;1H
InChIKeyLCDUNUJSWKOTJC-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.24
Rot. Bonds3

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

2-(piperidin-2-ylmethoxy)-1,3-benzothiazole;hydrochloride (PubChem CID 71636954) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is 2-(piperidin-2-ylmethoxy)-1,3-benzothiazole;hydrochloride.

Molecular Properties

Compound Name2-(piperidin-2-ylmethoxy)-1,3-benzothiazole;hydrochloride
PubChem CID71636954
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC Name2-(piperidin-2-ylmethoxy)-1,3-benzothiazole;hydrochloride
SMILESCl.c1ccc2sc(OCC3CCCCN3)nc2c1
InChIInChI=1S/C13H16N2OS.ClH/c1-2-7-12-11(6-1)15-13(17-12)16-9-10-5-3-4-8-14-10;/h1-2,6-7,10,14H,3-5,8-9H2;1H
InChIKeyLCDUNUJSWKOTJC-UHFFFAOYSA-N
XLogP3.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-piperidin-2-ylethoxy)-1,3-benzothiazole;hydrochloride
CID 71636566
2-(pyrrolidin-3-ylmethoxy)-1,3-benzothiazole
CID 62372647
5-nitro-2-[[(2S)-pyrrolidin-2-yl]methoxy]-1,3-benzothiazole
CID 97177944
3-(piperidin-2-ylmethoxy)-1,2,4-benzotriazine
CID 103204981
2-(pyrrolidin-2-ylmethyl)-1,3-benzothiazole
CID 61370741
2-(azepan-2-yl)-1-(1,3-benzothiazol-2-yl)ethanone
CID 79537658
3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-benzothiazole
CID 97178424
4-(piperidin-2-ylmethoxy)quinoline
CID 62348463
6-methyl-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzothiazole
CID 143435407
2-[(S)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]-1,3-benzothiazole
CID 97166293
2-(pyrrolidin-2-ylmethoxy)-1,3-benzoxazole;hydrochloride
CID 71636950
(2R)-2-(naphthalen-2-yloxymethyl)piperidine
CID 26192553

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-2-ylmethoxy)-1,3-benzothiazole;hydrochloride?
The IUPAC name of 2-(piperidin-2-ylmethoxy)-1,3-benzothiazole;hydrochloride (CID 71636954) is 2-(piperidin-2-ylmethoxy)-1,3-benzothiazole;hydrochloride.
What is the SMILES notation for 2-(piperidin-2-ylmethoxy)-1,3-benzothiazole;hydrochloride?
The canonical SMILES for 2-(piperidin-2-ylmethoxy)-1,3-benzothiazole;hydrochloride is Cl.c1ccc2sc(OCC3CCCCN3)nc2c1.
What is the InChIKey of 2-(piperidin-2-ylmethoxy)-1,3-benzothiazole;hydrochloride?
The InChIKey is LCDUNUJSWKOTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS.ClH/c1-2-7-12-11(6-1)15-13(17-12)16-9-10-5-3-4-8-14-10;/h1-2,6-7,10,14H,3-5,8-9H2;1H.
What are the key properties of 2-(piperidin-2-ylmethoxy)-1,3-benzothiazole;hydrochloride?
2-(piperidin-2-ylmethoxy)-1,3-benzothiazole;hydrochloride has a molecular weight of 284.81 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-2-ylmethoxy)-1,3-benzothiazole;hydrochloride is sourced from PubChem (CID 71636954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).