5-methoxy-2-piperidin-4-yloxy-1,3-benzothiazole;hydrochloride

C13H17ClN2O2S — CID 71779004

IUPAC5-methoxy-2-piperidin-4-yloxy-1,3-benzothiazole;hydrochloride
SMILESCOc1ccc2sc(OC3CCNCC3)nc2c1.Cl
InChIInChI=1S/C13H16N2O2S.ClH/c1-16-10-2-3-12-11(8-10)15-13(18-12)17-9-4-6-14-7-5-9;/h2-3,8-9,14H,4-7H2,1H3;1H
InChIKeyQCJILCGWKKTYLI-UHFFFAOYSA-N
MW300.81 g/mol
LogP2.86
Rot. Bonds3

About 5-methoxy-2-piperidin-4-yloxy-1,3-benzothiazole;hydrochloride

5-methoxy-2-piperidin-4-yloxy-1,3-benzothiazole;hydrochloride (PubChem CID 71779004) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is 5-methoxy-2-piperidin-4-yloxy-1,3-benzothiazole;hydrochloride.

Molecular Properties

Compound Name5-methoxy-2-piperidin-4-yloxy-1,3-benzothiazole;hydrochloride
PubChem CID71779004
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC Name5-methoxy-2-piperidin-4-yloxy-1,3-benzothiazole;hydrochloride
SMILESCOc1ccc2sc(OC3CCNCC3)nc2c1.Cl
InChIInChI=1S/C13H16N2O2S.ClH/c1-16-10-2-3-12-11(8-10)15-13(18-12)17-9-4-6-14-7-5-9;/h2-3,8-9,14H,4-7H2,1H3;1H
InChIKeyQCJILCGWKKTYLI-UHFFFAOYSA-N
XLogP2.86
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-piperidin-4-yloxy-1,3-benzothiazole;hydrochloride?
The IUPAC name of 5-methoxy-2-piperidin-4-yloxy-1,3-benzothiazole;hydrochloride (CID 71779004) is 5-methoxy-2-piperidin-4-yloxy-1,3-benzothiazole;hydrochloride.
What is the SMILES notation for 5-methoxy-2-piperidin-4-yloxy-1,3-benzothiazole;hydrochloride?
The canonical SMILES for 5-methoxy-2-piperidin-4-yloxy-1,3-benzothiazole;hydrochloride is COc1ccc2sc(OC3CCNCC3)nc2c1.Cl.
What is the InChIKey of 5-methoxy-2-piperidin-4-yloxy-1,3-benzothiazole;hydrochloride?
The InChIKey is QCJILCGWKKTYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S.ClH/c1-16-10-2-3-12-11(8-10)15-13(18-12)17-9-4-6-14-7-5-9;/h2-3,8-9,14H,4-7H2,1H3;1H.
What are the key properties of 5-methoxy-2-piperidin-4-yloxy-1,3-benzothiazole;hydrochloride?
5-methoxy-2-piperidin-4-yloxy-1,3-benzothiazole;hydrochloride has a molecular weight of 300.81 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-piperidin-4-yloxy-1,3-benzothiazole;hydrochloride is sourced from PubChem (CID 71779004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).