4-[(2-methoxyphenyl)methyl]-2-methyl-1,4-benzothiazin-3-one

C17H17NO2S — CID 126475650

IUPAC4-[(2-methoxyphenyl)methyl]-2-methyl-1,4-benzothiazin-3-one
SMILESCOc1ccccc1CN1C(=O)C(C)Sc2ccccc21
InChIInChI=1S/C17H17NO2S/c1-12-17(19)18(14-8-4-6-10-16(14)21-12)11-13-7-3-5-9-15(13)20-2/h3-10,12H,11H2,1-2H3
InChIKeyOEGLZFVNRREVCV-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.72
Rot. Bonds3

About 4-[(2-methoxyphenyl)methyl]-2-methyl-1,4-benzothiazin-3-one

4-[(2-methoxyphenyl)methyl]-2-methyl-1,4-benzothiazin-3-one (PubChem CID 126475650) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methyl]-2-methyl-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methyl]-2-methyl-1,4-benzothiazin-3-one
PubChem CID126475650
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name4-[(2-methoxyphenyl)methyl]-2-methyl-1,4-benzothiazin-3-one
SMILESCOc1ccccc1CN1C(=O)C(C)Sc2ccccc21
InChIInChI=1S/C17H17NO2S/c1-12-17(19)18(14-8-4-6-10-16(14)21-12)11-13-7-3-5-9-15(13)20-2/h3-10,12H,11H2,1-2H3
InChIKeyOEGLZFVNRREVCV-UHFFFAOYSA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-7-methoxy-2-methyl-1,4-benzothiazin-3-one
CID 126471107
6-amino-4-[(2-fluorophenyl)methyl]-2-methyl-1,4-benzothiazin-3-one
CID 84615627
2-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzothiazin-3-one
CID 3229393
4-(2-methyl-3-oxo-1,4-benzothiazin-4-yl)butanenitrile
CID 84616438
(1R,2S,6S,7S)-4-[(2-methoxyphenyl)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 6544546
2-methyl-4-(piperazin-1-ylmethyl)-1,4-benzothiazin-3-one
CID 84616440
2-[(7-chloro-2-methyl-3-oxo-1,4-benzothiazin-4-yl)methyl]benzonitrile
CID 126471649
2-[4-[(7-methoxy-1,3-benzothiazol-2-yl)methyl]-3-oxo-1,4-benzothiazin-2-yl]acetic acid
CID 54498490
2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 125296367
3-ethyl-1-[(2-methoxyphenyl)methyl]piperazine-2,6-dione
CID 66069576
7-chloro-6-methoxy-2-methyl-4-[(4-methylsulfonylphenyl)methyl]-1,4-benzothiazin-3-one
CID 126473937
3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one
CID 115071395

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methyl]-2-methyl-1,4-benzothiazin-3-one?
The IUPAC name of 4-[(2-methoxyphenyl)methyl]-2-methyl-1,4-benzothiazin-3-one (CID 126475650) is 4-[(2-methoxyphenyl)methyl]-2-methyl-1,4-benzothiazin-3-one.
What is the SMILES notation for 4-[(2-methoxyphenyl)methyl]-2-methyl-1,4-benzothiazin-3-one?
The canonical SMILES for 4-[(2-methoxyphenyl)methyl]-2-methyl-1,4-benzothiazin-3-one is COc1ccccc1CN1C(=O)C(C)Sc2ccccc21.
What is the InChIKey of 4-[(2-methoxyphenyl)methyl]-2-methyl-1,4-benzothiazin-3-one?
The InChIKey is OEGLZFVNRREVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-12-17(19)18(14-8-4-6-10-16(14)21-12)11-13-7-3-5-9-15(13)20-2/h3-10,12H,11H2,1-2H3.
What are the key properties of 4-[(2-methoxyphenyl)methyl]-2-methyl-1,4-benzothiazin-3-one?
4-[(2-methoxyphenyl)methyl]-2-methyl-1,4-benzothiazin-3-one has a molecular weight of 299.40 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)methyl]-2-methyl-1,4-benzothiazin-3-one is sourced from PubChem (CID 126475650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).