6-bromo-4-ethyl-1,4-benzothiazin-3-one

C10H10BrNOS — CID 84615722

IUPAC6-bromo-4-ethyl-1,4-benzothiazin-3-one
SMILESCCN1C(=O)CSc2ccc(Br)cc21
InChIInChI=1S/C10H10BrNOS/c1-2-12-8-5-7(11)3-4-9(8)14-6-10(12)13/h3-5H,2,6H2,1H3
InChIKeyQRDANKHKYSCZLN-UHFFFAOYSA-N
MW272.17 g/mol
LogP2.91
Rot. Bonds1

About 6-bromo-4-ethyl-1,4-benzothiazin-3-one

6-bromo-4-ethyl-1,4-benzothiazin-3-one (PubChem CID 84615722) has the molecular formula C10H10BrNOS and a molecular weight of 272.17 g/mol. Its IUPAC name is 6-bromo-4-ethyl-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-bromo-4-ethyl-1,4-benzothiazin-3-one
PubChem CID84615722
Molecular FormulaC10H10BrNOS
Molecular Weight272.17 g/mol
Exact Mass270.97
IUPAC Name6-bromo-4-ethyl-1,4-benzothiazin-3-one
SMILESCCN1C(=O)CSc2ccc(Br)cc21
InChIInChI=1S/C10H10BrNOS/c1-2-12-8-5-7(11)3-4-9(8)14-6-10(12)13/h3-5H,2,6H2,1H3
InChIKeyQRDANKHKYSCZLN-UHFFFAOYSA-N
XLogP2.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-6-(methylamino)-1,4-benzothiazin-3-one
CID 115259339
4-ethyl-7-propanoyl-1,4-benzothiazin-3-one
CID 84615377
4-ethyl-6-(C-methyl-N-prop-2-ynoxycarbonimidoyl)-1,4-benzothiazin-3-one
CID 74328911
2-[(Z)-1-(4-ethyl-3-oxo-1,4-benzothiazin-6-yl)ethylideneamino]oxyacetic acid
CID 5362164
7-bromo-4-propan-2-yl-1,4-benzothiazin-3-one
CID 84615707
4-ethyl-3-oxo-N-(thiophen-2-ylmethyl)-1,4-benzothiazine-6-carboxamide
CID 4671133
4-(2-aminoethyl)-6-(methylamino)-1,4-benzothiazin-3-one
CID 115195267
6-(aminomethyl)-4-(sulfanylmethyl)-1,4-benzothiazin-3-one
CID 115227964
6-(aminomethyl)-4-(chloromethyl)-1,4-benzothiazin-3-one
CID 115263062
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 52572827
N-(2,5-dibromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 39166500
4-octyl-6-(octylamino)-1,4-benzothiazin-3-one
CID 10949499

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-ethyl-1,4-benzothiazin-3-one?
The IUPAC name of 6-bromo-4-ethyl-1,4-benzothiazin-3-one (CID 84615722) is 6-bromo-4-ethyl-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-bromo-4-ethyl-1,4-benzothiazin-3-one?
The canonical SMILES for 6-bromo-4-ethyl-1,4-benzothiazin-3-one is CCN1C(=O)CSc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-4-ethyl-1,4-benzothiazin-3-one?
The InChIKey is QRDANKHKYSCZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNOS/c1-2-12-8-5-7(11)3-4-9(8)14-6-10(12)13/h3-5H,2,6H2,1H3.
What are the key properties of 6-bromo-4-ethyl-1,4-benzothiazin-3-one?
6-bromo-4-ethyl-1,4-benzothiazin-3-one has a molecular weight of 272.17 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-ethyl-1,4-benzothiazin-3-one is sourced from PubChem (CID 84615722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).