2,6,7-trimethyl-4H-1,4-benzothiazin-3-one

C11H13NOS — CID 84620961

IUPAC2,6,7-trimethyl-4H-1,4-benzothiazin-3-one
SMILESCc1cc2c(cc1C)SC(C)C(=O)N2
InChIInChI=1S/C11H13NOS/c1-6-4-9-10(5-7(6)2)14-8(3)11(13)12-9/h4-5,8H,1-3H3,(H,12,13)
InChIKeyJVERHRNOFHHFLH-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.74
Rot. Bonds

About 2,6,7-trimethyl-4H-1,4-benzothiazin-3-one

2,6,7-trimethyl-4H-1,4-benzothiazin-3-one (PubChem CID 84620961) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 2,6,7-trimethyl-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name2,6,7-trimethyl-4H-1,4-benzothiazin-3-one
PubChem CID84620961
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name2,6,7-trimethyl-4H-1,4-benzothiazin-3-one
SMILESCc1cc2c(cc1C)SC(C)C(=O)N2
InChIInChI=1S/C11H13NOS/c1-6-4-9-10(5-7(6)2)14-8(3)11(13)12-9/h4-5,8H,1-3H3,(H,12,13)
InChIKeyJVERHRNOFHHFLH-UHFFFAOYSA-N
XLogP2.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-6,7-dimethyl-4H-1,4-benzothiazin-3-one
CID 84624163
(2R,3R)-3-hydroxy-7,8-dimethyl-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 10519273
2-methyl-4H-1,4-benzothiazin-3-one;propane
CID 143681564
2,5-dimethyl-4H-1,4-benzothiazin-3-one
CID 84619183
N,N,2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 42886140
ethyl 2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetate
CID 116932089
6-(2-aminobutan-2-yl)-2-methyl-4H-1,4-benzothiazin-3-one
CID 82480963
2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzothiazin-3-one
CID 71118759
N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)carbamoyl bromide
CID 115193305
(2S)-N-(2,3-dimethylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 41013265
3,7-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one
CID 114827396
6-(1-amino-2-chloroethyl)-2-methyl-4H-1,4-benzothiazin-3-one
CID 116937588

Frequently Asked Questions

What is the IUPAC name of 2,6,7-trimethyl-4H-1,4-benzothiazin-3-one?
The IUPAC name of 2,6,7-trimethyl-4H-1,4-benzothiazin-3-one (CID 84620961) is 2,6,7-trimethyl-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 2,6,7-trimethyl-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 2,6,7-trimethyl-4H-1,4-benzothiazin-3-one is Cc1cc2c(cc1C)SC(C)C(=O)N2.
What is the InChIKey of 2,6,7-trimethyl-4H-1,4-benzothiazin-3-one?
The InChIKey is JVERHRNOFHHFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-6-4-9-10(5-7(6)2)14-8(3)11(13)12-9/h4-5,8H,1-3H3,(H,12,13).
What are the key properties of 2,6,7-trimethyl-4H-1,4-benzothiazin-3-one?
2,6,7-trimethyl-4H-1,4-benzothiazin-3-one has a molecular weight of 207.30 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-trimethyl-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 84620961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).