2-amino-1-(7-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone

C10H11BrN2OS — CID 84643661

IUPAC2-amino-1-(7-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
SMILESNCC(=O)N1CCSc2cc(Br)ccc21
InChIInChI=1S/C10H11BrN2OS/c11-7-1-2-8-9(5-7)15-4-3-13(8)10(14)6-12/h1-2,5H,3-4,6,12H2
InChIKeyZFHGYFFFBLNDDR-UHFFFAOYSA-N
MW287.18 g/mol
LogP1.85
Rot. Bonds1

About 2-amino-1-(7-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone

2-amino-1-(7-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone (PubChem CID 84643661) has the molecular formula C10H11BrN2OS and a molecular weight of 287.18 g/mol. Its IUPAC name is 2-amino-1-(7-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(7-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
PubChem CID84643661
Molecular FormulaC10H11BrN2OS
Molecular Weight287.18 g/mol
Exact Mass285.98
IUPAC Name2-amino-1-(7-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
SMILESNCC(=O)N1CCSc2cc(Br)ccc21
InChIInChI=1S/C10H11BrN2OS/c11-7-1-2-8-9(5-7)15-4-3-13(8)10(14)6-12/h1-2,5H,3-4,6,12H2
InChIKeyZFHGYFFFBLNDDR-UHFFFAOYSA-N
XLogP1.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(7-bromo-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 84644600
1-(6-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone
CID 84644610
3-amino-1-(7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one
CID 84640962
1-(2-aminoacetyl)-7-bromo-5-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 84645410
2-(3-bromophenoxy)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 112781455
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxyethanone
CID 16769847
(3-bromophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 51155277
7-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)heptan-1-one
CID 61260595
2-(2-bromophenyl)sulfanyl-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 36988349
3-amino-1-(5-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one
CID 84644601
4-amino-1-(5-bromo-2,3-dihydroindol-1-yl)butan-1-one;hydrochloride
CID 119280353
(5-bromo-2-fluorophenyl)-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 55590344

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(7-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
The IUPAC name of 2-amino-1-(7-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone (CID 84643661) is 2-amino-1-(7-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-(7-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
The canonical SMILES for 2-amino-1-(7-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone is NCC(=O)N1CCSc2cc(Br)ccc21.
What is the InChIKey of 2-amino-1-(7-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
The InChIKey is ZFHGYFFFBLNDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2OS/c11-7-1-2-8-9(5-7)15-4-3-13(8)10(14)6-12/h1-2,5H,3-4,6,12H2.
What are the key properties of 2-amino-1-(7-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
2-amino-1-(7-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone has a molecular weight of 287.18 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(7-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone is sourced from PubChem (CID 84643661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).