1-(2,1-benzothiazol-3-yl)-3-methylazetidin-3-amine

C11H13N3S — CID 66355340

IUPAC1-(2,1-benzothiazol-3-yl)-3-methylazetidin-3-amine
SMILESCC1(N)CN(c2snc3ccccc23)C1
InChIInChI=1S/C11H13N3S/c1-11(12)6-14(7-11)10-8-4-2-3-5-9(8)13-15-10/h2-5H,6-7,12H2,1H3
InChIKeyXMYXKUFKNHWFQY-UHFFFAOYSA-N
MW219.31 g/mol
LogP1.83
Rot. Bonds1

About 1-(2,1-benzothiazol-3-yl)-3-methylazetidin-3-amine

1-(2,1-benzothiazol-3-yl)-3-methylazetidin-3-amine (PubChem CID 66355340) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-(2,1-benzothiazol-3-yl)-3-methylazetidin-3-amine.

Molecular Properties

Compound Name1-(2,1-benzothiazol-3-yl)-3-methylazetidin-3-amine
PubChem CID66355340
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name1-(2,1-benzothiazol-3-yl)-3-methylazetidin-3-amine
SMILESCC1(N)CN(c2snc3ccccc23)C1
InChIInChI=1S/C11H13N3S/c1-11(12)6-14(7-11)10-8-4-2-3-5-9(8)13-15-10/h2-5H,6-7,12H2,1H3
InChIKeyXMYXKUFKNHWFQY-UHFFFAOYSA-N
XLogP1.83
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepan-1-yl)-2,1-benzothiazole
CID 51133929
1-(2,1-benzothiazol-3-yl)-3-methylpiperidine-3-carboxylic acid
CID 66354635
7-(2,1-benzothiazol-3-yl)-1,4-dioxa-7-azaspiro[4.4]nonane
CID 131122940
2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]-2-methylpropan-1-amine
CID 66355064
3-(4-chloropiperidin-1-yl)-2,1-benzothiazole
CID 66356181
1-[1-(2,1-benzothiazol-3-yl)pyrrolidin-3-yl]ethanamine
CID 113360803
2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]pentan-1-amine
CID 66355063
(3aR,7aS)-2-(2,1-benzothiazol-3-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 66356150
3-[4-(2-chloroethyl)piperazin-1-yl]-2,1-benzothiazole
CID 66353229
1-(2,1-benzothiazol-3-yl)-2-methylpyrrolidine-2-carboxylic acid
CID 66356337
2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]pentanenitrile
CID 66356553
methyl 1-(2,1-benzothiazol-3-yl)piperidine-4-carboxylate
CID 63372924

Frequently Asked Questions

What is the IUPAC name of 1-(2,1-benzothiazol-3-yl)-3-methylazetidin-3-amine?
The IUPAC name of 1-(2,1-benzothiazol-3-yl)-3-methylazetidin-3-amine (CID 66355340) is 1-(2,1-benzothiazol-3-yl)-3-methylazetidin-3-amine.
What is the SMILES notation for 1-(2,1-benzothiazol-3-yl)-3-methylazetidin-3-amine?
The canonical SMILES for 1-(2,1-benzothiazol-3-yl)-3-methylazetidin-3-amine is CC1(N)CN(c2snc3ccccc23)C1.
What is the InChIKey of 1-(2,1-benzothiazol-3-yl)-3-methylazetidin-3-amine?
The InChIKey is XMYXKUFKNHWFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-11(12)6-14(7-11)10-8-4-2-3-5-9(8)13-15-10/h2-5H,6-7,12H2,1H3.
What are the key properties of 1-(2,1-benzothiazol-3-yl)-3-methylazetidin-3-amine?
1-(2,1-benzothiazol-3-yl)-3-methylazetidin-3-amine has a molecular weight of 219.31 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1-benzothiazol-3-yl)-3-methylazetidin-3-amine is sourced from PubChem (CID 66355340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).