6-fluoro-3-(1-methylazetidin-3-yl)-1,2-benzothiazole

C11H11FN2S — CID 171510237

IUPAC6-fluoro-3-(1-methylazetidin-3-yl)-1,2-benzothiazole
SMILESCN1CC(c2nsc3cc(F)ccc23)C1
InChIInChI=1S/C11H11FN2S/c1-14-5-7(6-14)11-9-3-2-8(12)4-10(9)15-13-11/h2-4,7H,5-6H2,1H3
InChIKeyMSKKUEQOQIYOGQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.46
Rot. Bonds1

About 6-fluoro-3-(1-methylazetidin-3-yl)-1,2-benzothiazole

6-fluoro-3-(1-methylazetidin-3-yl)-1,2-benzothiazole (PubChem CID 171510237) has the molecular formula C11H11FN2S and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-fluoro-3-(1-methylazetidin-3-yl)-1,2-benzothiazole.

Molecular Properties

Compound Name6-fluoro-3-(1-methylazetidin-3-yl)-1,2-benzothiazole
PubChem CID171510237
Molecular FormulaC11H11FN2S
Molecular Weight222.29 g/mol
Exact Mass222.06
IUPAC Name6-fluoro-3-(1-methylazetidin-3-yl)-1,2-benzothiazole
SMILESCN1CC(c2nsc3cc(F)ccc23)C1
InChIInChI=1S/C11H11FN2S/c1-14-5-7(6-14)11-9-3-2-8(12)4-10(9)15-13-11/h2-4,7H,5-6H2,1H3
InChIKeyMSKKUEQOQIYOGQ-UHFFFAOYSA-N
XLogP2.46
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(1-methylazetidin-3-yl)-1,2-benzothiazole?
The IUPAC name of 6-fluoro-3-(1-methylazetidin-3-yl)-1,2-benzothiazole (CID 171510237) is 6-fluoro-3-(1-methylazetidin-3-yl)-1,2-benzothiazole.
What is the SMILES notation for 6-fluoro-3-(1-methylazetidin-3-yl)-1,2-benzothiazole?
The canonical SMILES for 6-fluoro-3-(1-methylazetidin-3-yl)-1,2-benzothiazole is CN1CC(c2nsc3cc(F)ccc23)C1.
What is the InChIKey of 6-fluoro-3-(1-methylazetidin-3-yl)-1,2-benzothiazole?
The InChIKey is MSKKUEQOQIYOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2S/c1-14-5-7(6-14)11-9-3-2-8(12)4-10(9)15-13-11/h2-4,7H,5-6H2,1H3.
What are the key properties of 6-fluoro-3-(1-methylazetidin-3-yl)-1,2-benzothiazole?
6-fluoro-3-(1-methylazetidin-3-yl)-1,2-benzothiazole has a molecular weight of 222.29 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(1-methylazetidin-3-yl)-1,2-benzothiazole is sourced from PubChem (CID 171510237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).