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

C11H13BrN2OS — CID 84644600

IUPAC2-amino-1-(7-bromo-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
SMILESCC1CN(C(=O)CN)c2ccc(Br)cc2S1
InChIInChI=1S/C11H13BrN2OS/c1-7-6-14(11(15)5-13)9-3-2-8(12)4-10(9)16-7/h2-4,7H,5-6,13H2,1H3
InChIKeyAMQVJIYSDDKKDF-UHFFFAOYSA-N
MW301.21 g/mol
LogP2.23
Rot. Bonds1

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

2-amino-1-(7-bromo-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone (PubChem CID 84644600) has the molecular formula C11H13BrN2OS and a molecular weight of 301.21 g/mol. Its IUPAC name is 2-amino-1-(7-bromo-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(7-bromo-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
PubChem CID84644600
Molecular FormulaC11H13BrN2OS
Molecular Weight301.21 g/mol
Exact Mass299.99
IUPAC Name2-amino-1-(7-bromo-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
SMILESCC1CN(C(=O)CN)c2ccc(Br)cc2S1
InChIInChI=1S/C11H13BrN2OS/c1-7-6-14(11(15)5-13)9-3-2-8(12)4-10(9)16-7/h2-4,7H,5-6,13H2,1H3
InChIKeyAMQVJIYSDDKKDF-UHFFFAOYSA-N
XLogP2.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(7-bromo-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-(7-fluoro-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 84629693
2-amino-1-(7-ethyl-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 84633847
3-amino-1-(6-bromo-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one
CID 84645577
2-amino-1-(7-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 84643661
3-(7-bromo-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine
CID 84644616
2-amino-1-(5-fluoro-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 84629698
N-(4-bromo-2-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
CID 20907195
1-(2-aminoacetyl)-7-bromo-5-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 84645410
methyl 4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoate
CID 110738049
4-(2,6-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoic acid
CID 84642602
4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-propylbutanamide
CID 20899630
2-(6-bromo-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine
CID 84644650

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(7-bromo-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
The IUPAC name of 2-amino-1-(7-bromo-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone (CID 84644600) is 2-amino-1-(7-bromo-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-(7-bromo-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
The canonical SMILES for 2-amino-1-(7-bromo-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone is CC1CN(C(=O)CN)c2ccc(Br)cc2S1.
What is the InChIKey of 2-amino-1-(7-bromo-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
The InChIKey is AMQVJIYSDDKKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2OS/c1-7-6-14(11(15)5-13)9-3-2-8(12)4-10(9)16-7/h2-4,7H,5-6,13H2,1H3.
What are the key properties of 2-amino-1-(7-bromo-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
2-amino-1-(7-bromo-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone has a molecular weight of 301.21 g/mol, XLogP of 2.23, 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-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone is sourced from PubChem (CID 84644600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).