4-(2-methylazetidin-3-yl)oxy-1,3-benzothiazole

C11H12N2OS — CID 134430197

IUPAC4-(2-methylazetidin-3-yl)oxy-1,3-benzothiazole
SMILESCC1NCC1Oc1cccc2scnc12
InChIInChI=1S/C11H12N2OS/c1-7-9(5-12-7)14-8-3-2-4-10-11(8)13-6-15-10/h2-4,6-7,9,12H,5H2,1H3
InChIKeyREFGLQKNMHHGTF-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.04
Rot. Bonds2

About 4-(2-methylazetidin-3-yl)oxy-1,3-benzothiazole

4-(2-methylazetidin-3-yl)oxy-1,3-benzothiazole (PubChem CID 134430197) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 4-(2-methylazetidin-3-yl)oxy-1,3-benzothiazole.

Molecular Properties

Compound Name4-(2-methylazetidin-3-yl)oxy-1,3-benzothiazole
PubChem CID134430197
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name4-(2-methylazetidin-3-yl)oxy-1,3-benzothiazole
SMILESCC1NCC1Oc1cccc2scnc12
InChIInChI=1S/C11H12N2OS/c1-7-9(5-12-7)14-8-3-2-4-10-11(8)13-6-15-10/h2-4,6-7,9,12H,5H2,1H3
InChIKeyREFGLQKNMHHGTF-UHFFFAOYSA-N
XLogP2.04
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylazetidin-3-yl)oxy-1,3-benzothiazole?
The IUPAC name of 4-(2-methylazetidin-3-yl)oxy-1,3-benzothiazole (CID 134430197) is 4-(2-methylazetidin-3-yl)oxy-1,3-benzothiazole.
What is the SMILES notation for 4-(2-methylazetidin-3-yl)oxy-1,3-benzothiazole?
The canonical SMILES for 4-(2-methylazetidin-3-yl)oxy-1,3-benzothiazole is CC1NCC1Oc1cccc2scnc12.
What is the InChIKey of 4-(2-methylazetidin-3-yl)oxy-1,3-benzothiazole?
The InChIKey is REFGLQKNMHHGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-7-9(5-12-7)14-8-3-2-4-10-11(8)13-6-15-10/h2-4,6-7,9,12H,5H2,1H3.
What are the key properties of 4-(2-methylazetidin-3-yl)oxy-1,3-benzothiazole?
4-(2-methylazetidin-3-yl)oxy-1,3-benzothiazole has a molecular weight of 220.30 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylazetidin-3-yl)oxy-1,3-benzothiazole is sourced from PubChem (CID 134430197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).