7-bromo-4-propan-2-yl-1,4-benzothiazin-3-one

C11H12BrNOS — CID 84615707

IUPAC7-bromo-4-propan-2-yl-1,4-benzothiazin-3-one
SMILESCC(C)N1C(=O)CSc2cc(Br)ccc21
InChIInChI=1S/C11H12BrNOS/c1-7(2)13-9-4-3-8(12)5-10(9)15-6-11(13)14/h3-5,7H,6H2,1-2H3
InChIKeyYNQGPDAIEPFPCZ-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.30
Rot. Bonds1

About 7-bromo-4-propan-2-yl-1,4-benzothiazin-3-one

7-bromo-4-propan-2-yl-1,4-benzothiazin-3-one (PubChem CID 84615707) has the molecular formula C11H12BrNOS and a molecular weight of 286.19 g/mol. Its IUPAC name is 7-bromo-4-propan-2-yl-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name7-bromo-4-propan-2-yl-1,4-benzothiazin-3-one
PubChem CID84615707
Molecular FormulaC11H12BrNOS
Molecular Weight286.19 g/mol
Exact Mass284.98
IUPAC Name7-bromo-4-propan-2-yl-1,4-benzothiazin-3-one
SMILESCC(C)N1C(=O)CSc2cc(Br)ccc21
InChIInChI=1S/C11H12BrNOS/c1-7(2)13-9-4-3-8(12)5-10(9)15-6-11(13)14/h3-5,7H,6H2,1-2H3
InChIKeyYNQGPDAIEPFPCZ-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-4-methyl-1-propan-2-yl-3H-quinoxalin-2-one
CID 117006371
2-(7-acetyl-3-oxo-1,4-benzothiazin-4-yl)propanoic acid
CID 84615306
6-bromo-4-ethyl-1,4-benzothiazin-3-one
CID 84615722
2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one
CID 145121125
4-(1-carboxyethyl)-3-oxo-1,4-benzothiazine-6-carboxylic acid
CID 84616168
7-(1-hydroxyethyl)-4-(2-methylpropyl)-1,4-benzothiazin-3-one
CID 84615347
N-(4-bromophenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
CID 53136393
6-amino-4-(4-aminobutan-2-yl)-1,4-benzothiazin-3-one
CID 117040210
7-(1-hydroxy-3-methylbutan-2-yl)-4-methyl-1,4-benzothiazin-3-one
CID 116994496
2-[7-(1-hydroxyethyl)-3-oxo-1,4-benzothiazin-4-yl]-2-methylpropanoic acid
CID 84615356
4-[1,2-bis(dimethylamino)ethyl]-1,4-benzothiazin-3-one
CID 54401086
3,7-dibromo-10-(2-methylpropyl)phenothiazine;hydrobromide
CID 173075054

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-propan-2-yl-1,4-benzothiazin-3-one?
The IUPAC name of 7-bromo-4-propan-2-yl-1,4-benzothiazin-3-one (CID 84615707) is 7-bromo-4-propan-2-yl-1,4-benzothiazin-3-one.
What is the SMILES notation for 7-bromo-4-propan-2-yl-1,4-benzothiazin-3-one?
The canonical SMILES for 7-bromo-4-propan-2-yl-1,4-benzothiazin-3-one is CC(C)N1C(=O)CSc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-4-propan-2-yl-1,4-benzothiazin-3-one?
The InChIKey is YNQGPDAIEPFPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNOS/c1-7(2)13-9-4-3-8(12)5-10(9)15-6-11(13)14/h3-5,7H,6H2,1-2H3.
What are the key properties of 7-bromo-4-propan-2-yl-1,4-benzothiazin-3-one?
7-bromo-4-propan-2-yl-1,4-benzothiazin-3-one has a molecular weight of 286.19 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-propan-2-yl-1,4-benzothiazin-3-one is sourced from PubChem (CID 84615707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).