3-(1,2-benzothiazol-6-yl)-2-methylpropan-1-amine

C11H14N2S — CID 83883007

IUPAC3-(1,2-benzothiazol-6-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1ccc2cnsc2c1
InChIInChI=1S/C11H14N2S/c1-8(6-12)4-9-2-3-10-7-13-14-11(10)5-9/h2-3,5,7-8H,4,6,12H2,1H3
InChIKeyNCHCXQHPIXOJJJ-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.43
Rot. Bonds3

About 3-(1,2-benzothiazol-6-yl)-2-methylpropan-1-amine

3-(1,2-benzothiazol-6-yl)-2-methylpropan-1-amine (PubChem CID 83883007) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 3-(1,2-benzothiazol-6-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1,2-benzothiazol-6-yl)-2-methylpropan-1-amine
PubChem CID83883007
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name3-(1,2-benzothiazol-6-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1ccc2cnsc2c1
InChIInChI=1S/C11H14N2S/c1-8(6-12)4-9-2-3-10-7-13-14-11(10)5-9/h2-3,5,7-8H,4,6,12H2,1H3
InChIKeyNCHCXQHPIXOJJJ-UHFFFAOYSA-N
XLogP2.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-1,2-benzothiazole
CID 70295455
6-ethyl-1,2-benzothiazole;propane
CID 142320291
2-methyl-3-(2-methyl-1,3-benzothiazol-5-yl)propan-1-amine
CID 83889724
2-(1,2-benzothiazol-6-yl)propan-1-ol
CID 117283915
(2R)-2-methyl-3-(3-methylphenyl)propan-1-amine
CID 42325732
3-(2-bromo-1-benzofuran-6-yl)-2-methylpropan-1-amine
CID 83902804
2-methyl-3-quinolin-3-ylpropan-1-amine
CID 64664749
5-propan-2-yl-1,2-benzothiazol-6-amine
CID 155036239
(2R)-3-(4-bromophenyl)-2-methylpropan-1-amine
CID 94460671
(2S)-2-methyl-3-pyridin-4-ylpropan-1-amine
CID 42079600
2-methyl-3-phenylpropan-1-amine
CID 12672558
3-(2,8-dimethylquinolin-6-yl)-2-methylpropan-1-amine
CID 82576782

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-benzothiazol-6-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(1,2-benzothiazol-6-yl)-2-methylpropan-1-amine (CID 83883007) is 3-(1,2-benzothiazol-6-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(1,2-benzothiazol-6-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(1,2-benzothiazol-6-yl)-2-methylpropan-1-amine is CC(CN)Cc1ccc2cnsc2c1.
What is the InChIKey of 3-(1,2-benzothiazol-6-yl)-2-methylpropan-1-amine?
The InChIKey is NCHCXQHPIXOJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-8(6-12)4-9-2-3-10-7-13-14-11(10)5-9/h2-3,5,7-8H,4,6,12H2,1H3.
What are the key properties of 3-(1,2-benzothiazol-6-yl)-2-methylpropan-1-amine?
3-(1,2-benzothiazol-6-yl)-2-methylpropan-1-amine has a molecular weight of 206.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-benzothiazol-6-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 83883007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).