6-fluoro-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;hydrochloride

C16H22ClFN2O2S — CID 69043928

IUPAC6-fluoro-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;hydrochloride
SMILESCC1(C)CC(Oc2nc3ccc(F)cc3s2)CC(C)(C)N1O.Cl
InChIInChI=1S/C16H21FN2O2S.ClH/c1-15(2)8-11(9-16(3,4)19(15)20)21-14-18-12-6-5-10(17)7-13(12)22-14;/h5-7,11,20H,8-9H2,1-4H3;1H
InChIKeyKNAVVDSFXDRZFP-UHFFFAOYSA-N
MW360.88 g/mol
LogP4.65
Rot. Bonds2

About 6-fluoro-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;hydrochloride

6-fluoro-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;hydrochloride (PubChem CID 69043928) has the molecular formula C16H22ClFN2O2S and a molecular weight of 360.88 g/mol. Its IUPAC name is 6-fluoro-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;hydrochloride.

Molecular Properties

Compound Name6-fluoro-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;hydrochloride
PubChem CID69043928
Molecular FormulaC16H22ClFN2O2S
Molecular Weight360.88 g/mol
Exact Mass360.11
IUPAC Name6-fluoro-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;hydrochloride
SMILESCC1(C)CC(Oc2nc3ccc(F)cc3s2)CC(C)(C)N1O.Cl
InChIInChI=1S/C16H21FN2O2S.ClH/c1-15(2)8-11(9-16(3,4)19(15)20)21-14-18-12-6-5-10(17)7-13(12)22-14;/h5-7,11,20H,8-9H2,1-4H3;1H
InChIKeyKNAVVDSFXDRZFP-UHFFFAOYSA-N
XLogP4.65
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.88
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;hydrochloride?
The IUPAC name of 6-fluoro-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;hydrochloride (CID 69043928) is 6-fluoro-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;hydrochloride.
What is the SMILES notation for 6-fluoro-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;hydrochloride?
The canonical SMILES for 6-fluoro-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;hydrochloride is CC1(C)CC(Oc2nc3ccc(F)cc3s2)CC(C)(C)N1O.Cl.
What is the InChIKey of 6-fluoro-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;hydrochloride?
The InChIKey is KNAVVDSFXDRZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2S.ClH/c1-15(2)8-11(9-16(3,4)19(15)20)21-14-18-12-6-5-10(17)7-13(12)22-14;/h5-7,11,20H,8-9H2,1-4H3;1H.
What are the key properties of 6-fluoro-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;hydrochloride?
6-fluoro-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;hydrochloride has a molecular weight of 360.88 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;hydrochloride is sourced from PubChem (CID 69043928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).