(5-bromo-4,7-dimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol

C11H14BrNOS — CID 84643774

IUPAC(5-bromo-4,7-dimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol
SMILESCc1cc(Br)c2c(c1)SCC(CO)N2C
InChIInChI=1S/C11H14BrNOS/c1-7-3-9(12)11-10(4-7)15-6-8(5-14)13(11)2/h3-4,8,14H,5-6H2,1-2H3
InChIKeyNBQATNFFAODLRN-UHFFFAOYSA-N
MW288.21 g/mol
LogP2.66
Rot. Bonds1

About (5-bromo-4,7-dimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol

(5-bromo-4,7-dimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol (PubChem CID 84643774) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is (5-bromo-4,7-dimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol.

Molecular Properties

Compound Name(5-bromo-4,7-dimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol
PubChem CID84643774
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC Name(5-bromo-4,7-dimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol
SMILESCc1cc(Br)c2c(c1)SCC(CO)N2C
InChIInChI=1S/C11H14BrNOS/c1-7-3-9(12)11-10(4-7)15-6-8(5-14)13(11)2/h3-4,8,14H,5-6H2,1-2H3
InChIKeyNBQATNFFAODLRN-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(5-bromo-3,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 84645572
4-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one
CID 84763029
2-(5-bromo-3,4,7-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)acetonitrile
CID 84645399
2-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanol
CID 84643766
3-(2,6-dibromo-4-methylphenyl)-4,5-dimethyl-2H-1,3-thiazole
CID 71295030
1-(5-bromo-7-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-(methylamino)propan-1-one
CID 84646304
1-(6-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine
CID 84643714
1-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine
CID 84643683
5-bromo-4,7-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-3-carboxylic acid
CID 84646462
2-amino-1-(3,5,7-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 84633871
2-(6-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)acetonitrile
CID 84643180
1-(5-bromo-2,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone
CID 84646308

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4,7-dimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol?
The IUPAC name of (5-bromo-4,7-dimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol (CID 84643774) is (5-bromo-4,7-dimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol.
What is the SMILES notation for (5-bromo-4,7-dimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol?
The canonical SMILES for (5-bromo-4,7-dimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol is Cc1cc(Br)c2c(c1)SCC(CO)N2C.
What is the InChIKey of (5-bromo-4,7-dimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol?
The InChIKey is NBQATNFFAODLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c1-7-3-9(12)11-10(4-7)15-6-8(5-14)13(11)2/h3-4,8,14H,5-6H2,1-2H3.
What are the key properties of (5-bromo-4,7-dimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol?
(5-bromo-4,7-dimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol has a molecular weight of 288.21 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4,7-dimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol is sourced from PubChem (CID 84643774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).