2-(5-bromo-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine

C11H15BrN2S — CID 84643694

IUPAC2-(5-bromo-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine
SMILESCC1Nc2c(Br)cccc2SC1CCN
InChIInChI=1S/C11H15BrN2S/c1-7-9(5-6-13)15-10-4-2-3-8(12)11(10)14-7/h2-4,7,9,14H,5-6,13H2,1H3
InChIKeyIGKMSWFZOZLZNA-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.07
Rot. Bonds2

About 2-(5-bromo-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine

2-(5-bromo-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine (PubChem CID 84643694) has the molecular formula C11H15BrN2S and a molecular weight of 287.23 g/mol. Its IUPAC name is 2-(5-bromo-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine
PubChem CID84643694
Molecular FormulaC11H15BrN2S
Molecular Weight287.23 g/mol
Exact Mass286.01
IUPAC Name2-(5-bromo-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine
SMILESCC1Nc2c(Br)cccc2SC1CCN
InChIInChI=1S/C11H15BrN2S/c1-7-9(5-6-13)15-10-4-2-3-8(12)11(10)14-7/h2-4,7,9,14H,5-6,13H2,1H3
InChIKeyIGKMSWFZOZLZNA-UHFFFAOYSA-N
XLogP3.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine?
The IUPAC name of 2-(5-bromo-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine (CID 84643694) is 2-(5-bromo-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine is CC1Nc2c(Br)cccc2SC1CCN.
What is the InChIKey of 2-(5-bromo-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine?
The InChIKey is IGKMSWFZOZLZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2S/c1-7-9(5-6-13)15-10-4-2-3-8(12)11(10)14-7/h2-4,7,9,14H,5-6,13H2,1H3.
What are the key properties of 2-(5-bromo-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine?
2-(5-bromo-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine has a molecular weight of 287.23 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine is sourced from PubChem (CID 84643694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).