6-methyl-2-(N,2,4,6-tetramethylanilino)-1,3-benzothiazin-4-one

C19H20N2OS — CID 59485363

IUPAC6-methyl-2-(N,2,4,6-tetramethylanilino)-1,3-benzothiazin-4-one
SMILESCc1cc(C)c(N(C)c2nc(=O)c3cc(C)ccc3s2)c(C)c1
InChIInChI=1S/C19H20N2OS/c1-11-6-7-16-15(10-11)18(22)20-19(23-16)21(5)17-13(3)8-12(2)9-14(17)4/h6-10H,1-5H3
InChIKeyCXCGBZRGSXRTFT-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.66
Rot. Bonds2

About 6-methyl-2-(N,2,4,6-tetramethylanilino)-1,3-benzothiazin-4-one

6-methyl-2-(N,2,4,6-tetramethylanilino)-1,3-benzothiazin-4-one (PubChem CID 59485363) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 6-methyl-2-(N,2,4,6-tetramethylanilino)-1,3-benzothiazin-4-one.

Molecular Properties

Compound Name6-methyl-2-(N,2,4,6-tetramethylanilino)-1,3-benzothiazin-4-one
PubChem CID59485363
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name6-methyl-2-(N,2,4,6-tetramethylanilino)-1,3-benzothiazin-4-one
SMILESCc1cc(C)c(N(C)c2nc(=O)c3cc(C)ccc3s2)c(C)c1
InChIInChI=1S/C19H20N2OS/c1-11-6-7-16-15(10-11)18(22)20-19(23-16)21(5)17-13(3)8-12(2)9-14(17)4/h6-10H,1-5H3
InChIKeyCXCGBZRGSXRTFT-UHFFFAOYSA-N
XLogP4.66
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(N,2,4,6-tetramethylanilino)-1,3-benzothiazin-4-one?
The IUPAC name of 6-methyl-2-(N,2,4,6-tetramethylanilino)-1,3-benzothiazin-4-one (CID 59485363) is 6-methyl-2-(N,2,4,6-tetramethylanilino)-1,3-benzothiazin-4-one.
What is the SMILES notation for 6-methyl-2-(N,2,4,6-tetramethylanilino)-1,3-benzothiazin-4-one?
The canonical SMILES for 6-methyl-2-(N,2,4,6-tetramethylanilino)-1,3-benzothiazin-4-one is Cc1cc(C)c(N(C)c2nc(=O)c3cc(C)ccc3s2)c(C)c1.
What is the InChIKey of 6-methyl-2-(N,2,4,6-tetramethylanilino)-1,3-benzothiazin-4-one?
The InChIKey is CXCGBZRGSXRTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-11-6-7-16-15(10-11)18(22)20-19(23-16)21(5)17-13(3)8-12(2)9-14(17)4/h6-10H,1-5H3.
What are the key properties of 6-methyl-2-(N,2,4,6-tetramethylanilino)-1,3-benzothiazin-4-one?
6-methyl-2-(N,2,4,6-tetramethylanilino)-1,3-benzothiazin-4-one has a molecular weight of 324.45 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(N,2,4,6-tetramethylanilino)-1,3-benzothiazin-4-one is sourced from PubChem (CID 59485363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).