N-(2,6-dimethylphenyl)-4-ethyl-4H-1,3-benzothiazin-2-amine

C18H20N2S — CID 25110961

IUPACN-(2,6-dimethylphenyl)-4-ethyl-4H-1,3-benzothiazin-2-amine
SMILESCCC1N=C(Nc2c(C)cccc2C)Sc2ccccc21
InChIInChI=1S/C18H20N2S/c1-4-15-14-10-5-6-11-16(14)21-18(19-15)20-17-12(2)8-7-9-13(17)3/h5-11,15H,4H2,1-3H3,(H,19,20)
InChIKeyAAMCPXBVFMAPTK-UHFFFAOYSA-N
MW296.44 g/mol
LogP5.33
Rot. Bonds2

About N-(2,6-dimethylphenyl)-4-ethyl-4H-1,3-benzothiazin-2-amine

N-(2,6-dimethylphenyl)-4-ethyl-4H-1,3-benzothiazin-2-amine (PubChem CID 25110961) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-ethyl-4H-1,3-benzothiazin-2-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-ethyl-4H-1,3-benzothiazin-2-amine
PubChem CID25110961
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC NameN-(2,6-dimethylphenyl)-4-ethyl-4H-1,3-benzothiazin-2-amine
SMILESCCC1N=C(Nc2c(C)cccc2C)Sc2ccccc21
InChIInChI=1S/C18H20N2S/c1-4-15-14-10-5-6-11-16(14)21-18(19-15)20-17-12(2)8-7-9-13(17)3/h5-11,15H,4H2,1-3H3,(H,19,20)
InChIKeyAAMCPXBVFMAPTK-UHFFFAOYSA-N
XLogP5.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.44
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-ethyl-4H-1,3-benzothiazin-2-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-4-ethyl-4H-1,3-benzothiazin-2-amine (CID 25110961) is N-(2,6-dimethylphenyl)-4-ethyl-4H-1,3-benzothiazin-2-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-ethyl-4H-1,3-benzothiazin-2-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-ethyl-4H-1,3-benzothiazin-2-amine is CCC1N=C(Nc2c(C)cccc2C)Sc2ccccc21.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-ethyl-4H-1,3-benzothiazin-2-amine?
The InChIKey is AAMCPXBVFMAPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-4-15-14-10-5-6-11-16(14)21-18(19-15)20-17-12(2)8-7-9-13(17)3/h5-11,15H,4H2,1-3H3,(H,19,20).
What are the key properties of N-(2,6-dimethylphenyl)-4-ethyl-4H-1,3-benzothiazin-2-amine?
N-(2,6-dimethylphenyl)-4-ethyl-4H-1,3-benzothiazin-2-amine has a molecular weight of 296.44 g/mol, XLogP of 5.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-ethyl-4H-1,3-benzothiazin-2-amine is sourced from PubChem (CID 25110961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).