2-(azetidin-3-yloxy)-6-fluoro-1,3-benzothiazole;hydrochloride

C10H10ClFN2OS — CID 142323036

IUPAC2-(azetidin-3-yloxy)-6-fluoro-1,3-benzothiazole;hydrochloride
SMILESCl.Fc1ccc2nc(OC3CNC3)sc2c1
InChIInChI=1S/C10H9FN2OS.ClH/c11-6-1-2-8-9(3-6)15-10(13-8)14-7-4-12-5-7;/h1-3,7,12H,4-5H2;1H
InChIKeyAWVLZTCIYXRSAL-UHFFFAOYSA-N
MW260.72 g/mol
LogP2.21
Rot. Bonds2

About 2-(azetidin-3-yloxy)-6-fluoro-1,3-benzothiazole;hydrochloride

2-(azetidin-3-yloxy)-6-fluoro-1,3-benzothiazole;hydrochloride (PubChem CID 142323036) has the molecular formula C10H10ClFN2OS and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-(azetidin-3-yloxy)-6-fluoro-1,3-benzothiazole;hydrochloride.

Molecular Properties

Compound Name2-(azetidin-3-yloxy)-6-fluoro-1,3-benzothiazole;hydrochloride
PubChem CID142323036
Molecular FormulaC10H10ClFN2OS
Molecular Weight260.72 g/mol
Exact Mass260.02
IUPAC Name2-(azetidin-3-yloxy)-6-fluoro-1,3-benzothiazole;hydrochloride
SMILESCl.Fc1ccc2nc(OC3CNC3)sc2c1
InChIInChI=1S/C10H9FN2OS.ClH/c11-6-1-2-8-9(3-6)15-10(13-8)14-7-4-12-5-7;/h1-3,7,12H,4-5H2;1H
InChIKeyAWVLZTCIYXRSAL-UHFFFAOYSA-N
XLogP2.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yloxy)-6-fluoro-1,3-benzothiazole;hydrochloride?
The IUPAC name of 2-(azetidin-3-yloxy)-6-fluoro-1,3-benzothiazole;hydrochloride (CID 142323036) is 2-(azetidin-3-yloxy)-6-fluoro-1,3-benzothiazole;hydrochloride.
What is the SMILES notation for 2-(azetidin-3-yloxy)-6-fluoro-1,3-benzothiazole;hydrochloride?
The canonical SMILES for 2-(azetidin-3-yloxy)-6-fluoro-1,3-benzothiazole;hydrochloride is Cl.Fc1ccc2nc(OC3CNC3)sc2c1.
What is the InChIKey of 2-(azetidin-3-yloxy)-6-fluoro-1,3-benzothiazole;hydrochloride?
The InChIKey is AWVLZTCIYXRSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS.ClH/c11-6-1-2-8-9(3-6)15-10(13-8)14-7-4-12-5-7;/h1-3,7,12H,4-5H2;1H.
What are the key properties of 2-(azetidin-3-yloxy)-6-fluoro-1,3-benzothiazole;hydrochloride?
2-(azetidin-3-yloxy)-6-fluoro-1,3-benzothiazole;hydrochloride has a molecular weight of 260.72 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yloxy)-6-fluoro-1,3-benzothiazole;hydrochloride is sourced from PubChem (CID 142323036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).