7-methoxy-2-methyl-4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one

C18H19NO2S — CID 126475212

IUPAC7-methoxy-2-methyl-4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one
SMILESCOc1ccc2c(c1)SC(C)C(=O)N2Cc1ccc(C)cc1
InChIInChI=1S/C18H19NO2S/c1-12-4-6-14(7-5-12)11-19-16-9-8-15(21-3)10-17(16)22-13(2)18(19)20/h4-10,13H,11H2,1-3H3
InChIKeyQUEHLQCLZZRRQI-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.03
Rot. Bonds3

About 7-methoxy-2-methyl-4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one

7-methoxy-2-methyl-4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one (PubChem CID 126475212) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is 7-methoxy-2-methyl-4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name7-methoxy-2-methyl-4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one
PubChem CID126475212
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name7-methoxy-2-methyl-4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one
SMILESCOc1ccc2c(c1)SC(C)C(=O)N2Cc1ccc(C)cc1
InChIInChI=1S/C18H19NO2S/c1-12-4-6-14(7-5-12)11-19-16-9-8-15(21-3)10-17(16)22-13(2)18(19)20/h4-10,13H,11H2,1-3H3
InChIKeyQUEHLQCLZZRRQI-UHFFFAOYSA-N
XLogP4.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.03
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
7-methoxy-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-benzothiazin-3-one
CID 126475087
4-(1,3-benzodioxol-5-ylmethyl)-2,7-dimethyl-1,4-benzothiazin-3-one
CID 126471739
3-amino-1-[(4-methoxyphenyl)methyl]-5-methyl-3H-indol-2-one
CID 43254825
7-chloro-6-methoxy-2-methyl-4-[(4-methylsulfonylphenyl)methyl]-1,4-benzothiazin-3-one
CID 126473937
N-hydroxy-2-[2-[(4-methoxyphenyl)methyl]-7-methyl-3-oxo-1,4-benzothiazin-4-yl]acetamide
CID 21303119
ethane;1-methoxy-4-methylbenzene;1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 144616946
4-[(2-methoxyphenyl)methyl]-2-methyl-1,4-benzothiazin-3-one
CID 126475650
[(2R,3R)-5-[2-(dimethylamino)ethyl]-8-methoxy-2-(4-methylphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
CID 10812462
N-[(3S)-5-methoxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 7693221
(5S)-3-[(4-methoxyphenyl)methyl]-5-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126153607
3-hydroxy-2-(4-methoxyphenyl)-8-methyl-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one;hydrochloride
CID 23318082

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one?
The IUPAC name of 7-methoxy-2-methyl-4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one (CID 126475212) is 7-methoxy-2-methyl-4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one.
What is the SMILES notation for 7-methoxy-2-methyl-4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one?
The canonical SMILES for 7-methoxy-2-methyl-4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one is COc1ccc2c(c1)SC(C)C(=O)N2Cc1ccc(C)cc1.
What is the InChIKey of 7-methoxy-2-methyl-4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one?
The InChIKey is QUEHLQCLZZRRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-12-4-6-14(7-5-12)11-19-16-9-8-15(21-3)10-17(16)22-13(2)18(19)20/h4-10,13H,11H2,1-3H3.
What are the key properties of 7-methoxy-2-methyl-4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one?
7-methoxy-2-methyl-4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one has a molecular weight of 313.42 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one is sourced from PubChem (CID 126475212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).