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

C11H14BrNOS — CID 84643766

IUPAC2-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanol
SMILESCN1c2ccc(Br)cc2SCC1CCO
InChIInChI=1S/C11H14BrNOS/c1-13-9(4-5-14)7-15-11-6-8(12)2-3-10(11)13/h2-3,6,9,14H,4-5,7H2,1H3
InChIKeyOVWIODJRXRYLFQ-UHFFFAOYSA-N
MW288.21 g/mol
LogP2.74
Rot. Bonds2

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

2-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanol (PubChem CID 84643766) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is 2-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanol.

Molecular Properties

Compound Name2-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanol
PubChem CID84643766
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC Name2-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanol
SMILESCN1c2ccc(Br)cc2SCC1CCO
InChIInChI=1S/C11H14BrNOS/c1-13-9(4-5-14)7-15-11-6-8(12)2-3-10(11)13/h2-3,6,9,14H,4-5,7H2,1H3
InChIKeyOVWIODJRXRYLFQ-UHFFFAOYSA-N
XLogP2.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine
CID 84643683
1-(6-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine
CID 84643714
2-(6-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)acetonitrile
CID 84643180
(4-methyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanamine
CID 84629862
[4-methyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazin-3-yl]methanamine
CID 84638796
2-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]ethanol
CID 84608235
1-(5-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol
CID 117201059
5-bromo-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzaldehyde
CID 114061206
4-(4-bromo-2-methylphenyl)-3-(2-hydroxyethyl)-1-methylpiperazin-2-one
CID 84607947
2-(7-bromo-3,4-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)ethanol
CID 84646473
(5-bromo-4,7-dimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol
CID 84643774
2-amino-1-(7-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 84643661

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanol?
The IUPAC name of 2-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanol (CID 84643766) is 2-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanol.
What is the SMILES notation for 2-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanol?
The canonical SMILES for 2-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanol is CN1c2ccc(Br)cc2SCC1CCO.
What is the InChIKey of 2-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanol?
The InChIKey is OVWIODJRXRYLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c1-13-9(4-5-14)7-15-11-6-8(12)2-3-10(11)13/h2-3,6,9,14H,4-5,7H2,1H3.
What are the key properties of 2-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanol?
2-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanol has a molecular weight of 288.21 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanol is sourced from PubChem (CID 84643766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).