3-(3,4-dimethoxyphenyl)-2H-1,4-benzothiazine

C16H15NO2S — CID 24905604

IUPAC3-(3,4-dimethoxyphenyl)-2H-1,4-benzothiazine
SMILESCOc1ccc(C2=Nc3ccccc3SC2)cc1OC
InChIInChI=1S/C16H15NO2S/c1-18-14-8-7-11(9-15(14)19-2)13-10-20-16-6-4-3-5-12(16)17-13/h3-9H,10H2,1-2H3
InChIKeyVYRODTWQGTZOFJ-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.93
Rot. Bonds3

About 3-(3,4-dimethoxyphenyl)-2H-1,4-benzothiazine

3-(3,4-dimethoxyphenyl)-2H-1,4-benzothiazine (PubChem CID 24905604) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2H-1,4-benzothiazine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2H-1,4-benzothiazine
PubChem CID24905604
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name3-(3,4-dimethoxyphenyl)-2H-1,4-benzothiazine
SMILESCOc1ccc(C2=Nc3ccccc3SC2)cc1OC
InChIInChI=1S/C16H15NO2S/c1-18-14-8-7-11(9-15(14)19-2)13-10-20-16-6-4-3-5-12(16)17-13/h3-9H,10H2,1-2H3
InChIKeyVYRODTWQGTZOFJ-UHFFFAOYSA-N
XLogP3.93
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2H-1,4-benzothiazine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2H-1,4-benzothiazine (CID 24905604) is 3-(3,4-dimethoxyphenyl)-2H-1,4-benzothiazine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2H-1,4-benzothiazine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2H-1,4-benzothiazine is COc1ccc(C2=Nc3ccccc3SC2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2H-1,4-benzothiazine?
The InChIKey is VYRODTWQGTZOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-18-14-8-7-11(9-15(14)19-2)13-10-20-16-6-4-3-5-12(16)17-13/h3-9H,10H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-2H-1,4-benzothiazine?
3-(3,4-dimethoxyphenyl)-2H-1,4-benzothiazine has a molecular weight of 285.37 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2H-1,4-benzothiazine is sourced from PubChem (CID 24905604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).