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

C14H18N2OS — CID 71636570

IUPAC3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole
SMILESc1ccc2c(OCCC3CCCCN3)nsc2c1
InChIInChI=1S/C14H18N2OS/c1-2-7-13-12(6-1)14(16-18-13)17-10-8-11-5-3-4-9-15-11/h1-2,6-7,11,15H,3-5,8-10H2
InChIKeyPYJBRYMVXCFEND-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.21
Rot. Bonds4

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

3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole (PubChem CID 71636570) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole.

Molecular Properties

Compound Name3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole
PubChem CID71636570
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole
SMILESc1ccc2c(OCCC3CCCCN3)nsc2c1
InChIInChI=1S/C14H18N2OS/c1-2-7-13-12(6-1)14(16-18-13)17-10-8-11-5-3-4-9-15-11/h1-2,6-7,11,15H,3-5,8-10H2
InChIKeyPYJBRYMVXCFEND-UHFFFAOYSA-N
XLogP3.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole;hydrochloride
CID 71636569
3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-benzothiazole
CID 97178424
3-(2-piperidin-2-ylethoxy)-2,1-benzothiazole
CID 66355743
2-(2-piperidin-2-ylethoxy)-1,3-benzothiazole;hydrochloride
CID 71636566
3-(piperidin-4-ylmethoxy)-1,2-benzothiazole;hydrochloride
CID 71636976
3-(2-piperidin-2-ylethoxy)pyridine;hydrochloride
CID 56830402
(2S)-2-[2-(4-phenylphenoxy)ethyl]piperidine
CID 28749943
3-butoxy-1,2-benzothiazole
CID 591887
2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride
CID 56830376
2-[2-(2-phenylphenoxy)ethyl]piperidine
CID 43149968
N-[[(2S)-pyrrolidin-2-yl]methyl]-1,2-benzothiazol-3-amine
CID 97178372
3-(2-piperidin-2-ylethoxy)-1,2,4-benzotriazine
CID 103204979

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole?
The IUPAC name of 3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole (CID 71636570) is 3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole.
What is the SMILES notation for 3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole?
The canonical SMILES for 3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole is c1ccc2c(OCCC3CCCCN3)nsc2c1.
What is the InChIKey of 3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole?
The InChIKey is PYJBRYMVXCFEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-2-7-13-12(6-1)14(16-18-13)17-10-8-11-5-3-4-9-15-11/h1-2,6-7,11,15H,3-5,8-10H2.
What are the key properties of 3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole?
3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole has a molecular weight of 262.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole is sourced from PubChem (CID 71636570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).