6-methoxy-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole

C15H20N2OS — CID 79511835

IUPAC6-methoxy-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole
SMILESCOc1ccc2nc(CCC3CCCCN3)sc2c1
InChIInChI=1S/C15H20N2OS/c1-18-12-6-7-13-14(10-12)19-15(17-13)8-5-11-4-2-3-9-16-11/h6-7,10-11,16H,2-5,8-9H2,1H3
InChIKeyAXPPBQWXJNWMJT-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.38
Rot. Bonds4

About 6-methoxy-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole

6-methoxy-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole (PubChem CID 79511835) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 6-methoxy-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-methoxy-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole
PubChem CID79511835
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name6-methoxy-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole
SMILESCOc1ccc2nc(CCC3CCCCN3)sc2c1
InChIInChI=1S/C15H20N2OS/c1-18-12-6-7-13-14(10-12)19-15(17-13)8-5-11-4-2-3-9-16-11/h6-7,10-11,16H,2-5,8-9H2,1H3
InChIKeyAXPPBQWXJNWMJT-UHFFFAOYSA-N
XLogP3.38
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzothiazole
CID 79511727
5-methyl-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole
CID 55049751
6-methoxy-2-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride
CID 120834995
2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine
CID 39106649
2-[3-(4-methoxyphenyl)propyl]piperidine
CID 65446310
2-[2-(3-methoxyphenyl)ethyl]azepane
CID 113443145
1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120834481
6-methoxy-2-[[(3S)-3-methoxypiperidin-1-yl]methyl]-1,3-benzothiazole
CID 164640107
[1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 120841920
(3R)-1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-3-amine
CID 120845980
6-methoxy-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride
CID 120968147
N-(2-cyclopentylethyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79519168

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole?
The IUPAC name of 6-methoxy-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole (CID 79511835) is 6-methoxy-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole.
What is the SMILES notation for 6-methoxy-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole?
The canonical SMILES for 6-methoxy-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole is COc1ccc2nc(CCC3CCCCN3)sc2c1.
What is the InChIKey of 6-methoxy-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole?
The InChIKey is AXPPBQWXJNWMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-18-12-6-7-13-14(10-12)19-15(17-13)8-5-11-4-2-3-9-16-11/h6-7,10-11,16H,2-5,8-9H2,1H3.
What are the key properties of 6-methoxy-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole?
6-methoxy-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole has a molecular weight of 276.40 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole is sourced from PubChem (CID 79511835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).