2-(2,5-dimethoxyphenyl)-4-methyl-1,4-benzothiazin-3-one

C17H17NO3S — CID 14244693

IUPAC2-(2,5-dimethoxyphenyl)-4-methyl-1,4-benzothiazin-3-one
SMILESCOc1ccc(OC)c(C2Sc3ccccc3N(C)C2=O)c1
InChIInChI=1S/C17H17NO3S/c1-18-13-6-4-5-7-15(13)22-16(17(18)19)12-10-11(20-2)8-9-14(12)21-3/h4-10,16H,1-3H3
InChIKeyPUOJUYYQGBWAMR-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.51
Rot. Bonds3

About 2-(2,5-dimethoxyphenyl)-4-methyl-1,4-benzothiazin-3-one

2-(2,5-dimethoxyphenyl)-4-methyl-1,4-benzothiazin-3-one (PubChem CID 14244693) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-4-methyl-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-4-methyl-1,4-benzothiazin-3-one
PubChem CID14244693
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name2-(2,5-dimethoxyphenyl)-4-methyl-1,4-benzothiazin-3-one
SMILESCOc1ccc(OC)c(C2Sc3ccccc3N(C)C2=O)c1
InChIInChI=1S/C17H17NO3S/c1-18-13-6-4-5-7-15(13)22-16(17(18)19)12-10-11(20-2)8-9-14(12)21-3/h4-10,16H,1-3H3
InChIKeyPUOJUYYQGBWAMR-UHFFFAOYSA-N
XLogP3.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-4-methyl-1,4-benzothiazin-3-one?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-4-methyl-1,4-benzothiazin-3-one (CID 14244693) is 2-(2,5-dimethoxyphenyl)-4-methyl-1,4-benzothiazin-3-one.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-4-methyl-1,4-benzothiazin-3-one?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-4-methyl-1,4-benzothiazin-3-one is COc1ccc(OC)c(C2Sc3ccccc3N(C)C2=O)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-4-methyl-1,4-benzothiazin-3-one?
The InChIKey is PUOJUYYQGBWAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-18-13-6-4-5-7-15(13)22-16(17(18)19)12-10-11(20-2)8-9-14(12)21-3/h4-10,16H,1-3H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-4-methyl-1,4-benzothiazin-3-one?
2-(2,5-dimethoxyphenyl)-4-methyl-1,4-benzothiazin-3-one has a molecular weight of 315.39 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-4-methyl-1,4-benzothiazin-3-one is sourced from PubChem (CID 14244693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).