4-benzyl-7-methoxy-2-methyl-1,4-benzothiazin-3-one

C17H17NO2S — CID 126471107

IUPAC4-benzyl-7-methoxy-2-methyl-1,4-benzothiazin-3-one
SMILESCOc1ccc2c(c1)SC(C)C(=O)N2Cc1ccccc1
InChIInChI=1S/C17H17NO2S/c1-12-17(19)18(11-13-6-4-3-5-7-13)15-9-8-14(20-2)10-16(15)21-12/h3-10,12H,11H2,1-2H3
InChIKeyAOIPKFXTCOMAGJ-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.72
Rot. Bonds3

About 4-benzyl-7-methoxy-2-methyl-1,4-benzothiazin-3-one

4-benzyl-7-methoxy-2-methyl-1,4-benzothiazin-3-one (PubChem CID 126471107) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-benzyl-7-methoxy-2-methyl-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name4-benzyl-7-methoxy-2-methyl-1,4-benzothiazin-3-one
PubChem CID126471107
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name4-benzyl-7-methoxy-2-methyl-1,4-benzothiazin-3-one
SMILESCOc1ccc2c(c1)SC(C)C(=O)N2Cc1ccccc1
InChIInChI=1S/C17H17NO2S/c1-12-17(19)18(11-13-6-4-3-5-7-13)15-9-8-14(20-2)10-16(15)21-12/h3-10,12H,11H2,1-2H3
InChIKeyAOIPKFXTCOMAGJ-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

7-methoxy-2-methyl-4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one
CID 126475212
7-methoxy-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-benzothiazin-3-one
CID 126475087
(2Z,5R)-3-benzyl-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 7404039
4-[(2-methoxyphenyl)methyl]-2-methyl-1,4-benzothiazin-3-one
CID 126475650
1-benzyl-6-methoxy-3,3-dimethylindol-2-one
CID 1201570
7-chloro-6-methoxy-2-methyl-4-[(4-methylsulfonylphenyl)methyl]-1,4-benzothiazin-3-one
CID 126473937
2-[(7-chloro-2-methyl-3-oxo-1,4-benzothiazin-4-yl)methyl]benzonitrile
CID 126471649
(3S)-3-benzyl-8-methoxypyrimido[2,1-b][1,3]benzothiazole-2,4-dione
CID 806264
4-benzyl-2-methylsulfanyl-1,4-benzothiazin-3-one
CID 177488422
4-(1,3-benzodioxol-5-ylmethyl)-2,7-dimethyl-1,4-benzothiazin-3-one
CID 126471739
3-amino-1-[(3-methoxyphenyl)methyl]-3H-indol-2-one
CID 43254974
3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]-3H-quinoxalin-2-one
CID 70055125

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-7-methoxy-2-methyl-1,4-benzothiazin-3-one?
The IUPAC name of 4-benzyl-7-methoxy-2-methyl-1,4-benzothiazin-3-one (CID 126471107) is 4-benzyl-7-methoxy-2-methyl-1,4-benzothiazin-3-one.
What is the SMILES notation for 4-benzyl-7-methoxy-2-methyl-1,4-benzothiazin-3-one?
The canonical SMILES for 4-benzyl-7-methoxy-2-methyl-1,4-benzothiazin-3-one is COc1ccc2c(c1)SC(C)C(=O)N2Cc1ccccc1.
What is the InChIKey of 4-benzyl-7-methoxy-2-methyl-1,4-benzothiazin-3-one?
The InChIKey is AOIPKFXTCOMAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-12-17(19)18(11-13-6-4-3-5-7-13)15-9-8-14(20-2)10-16(15)21-12/h3-10,12H,11H2,1-2H3.
What are the key properties of 4-benzyl-7-methoxy-2-methyl-1,4-benzothiazin-3-one?
4-benzyl-7-methoxy-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-benzyl-7-methoxy-2-methyl-1,4-benzothiazin-3-one is sourced from PubChem (CID 126471107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).