1-(1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)ethanamine

C16H16N2OS — CID 43314632

IUPAC1-(1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CC(N)c1nc2ccccc2s1
InChIInChI=1S/C16H16N2OS/c1-19-14-8-4-2-6-11(14)10-12(17)16-18-13-7-3-5-9-15(13)20-16/h2-9,12H,10,17H2,1H3
InChIKeyOAKCQXVVHQAGPJ-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.55
Rot. Bonds4

About 1-(1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)ethanamine

1-(1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)ethanamine (PubChem CID 43314632) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)ethanamine
PubChem CID43314632
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name1-(1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CC(N)c1nc2ccccc2s1
InChIInChI=1S/C16H16N2OS/c1-19-14-8-4-2-6-11(14)10-12(17)16-18-13-7-3-5-9-15(13)20-16/h2-9,12H,10,17H2,1H3
InChIKeyOAKCQXVVHQAGPJ-UHFFFAOYSA-N
XLogP3.55
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 9468827
(2S)-2-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 95182780
2-(1-benzofuran-3-yl)-1-(1,3-benzothiazol-2-yl)ethanamine
CID 80702671
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
1-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylethanamine
CID 43314623
2-(2-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299211
1-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)ethanamine
CID 43314644
1-(1,3-benzothiazol-2-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 43314618
1-(1,3-benzothiazol-2-yl)-2-(3-but-1-ynylphenyl)ethanamine
CID 168913459
1-(1,3-benzothiazol-2-yl)-3-phenylbutan-1-amine
CID 61100465
2-[2-bromo-2-(2-methoxyphenyl)ethyl]-1,3-benzothiazole
CID 66460253

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)ethanamine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)ethanamine (CID 43314632) is 1-(1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)ethanamine is COc1ccccc1CC(N)c1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)ethanamine?
The InChIKey is OAKCQXVVHQAGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-19-14-8-4-2-6-11(14)10-12(17)16-18-13-7-3-5-9-15(13)20-16/h2-9,12H,10,17H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)ethanamine?
1-(1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)ethanamine has a molecular weight of 284.38 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 43314632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).