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

C16H16N2S — CID 135010902

IUPACN-(2,6-dimethylphenyl)-4H-1,3-benzothiazin-2-amine
SMILESCc1cccc(C)c1NC1=NCc2ccccc2S1
InChIInChI=1S/C16H16N2S/c1-11-6-5-7-12(2)15(11)18-16-17-10-13-8-3-4-9-14(13)19-16/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyTUCNMTWZYOUJBY-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.38
Rot. Bonds1

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

N-(2,6-dimethylphenyl)-4H-1,3-benzothiazin-2-amine (PubChem CID 135010902) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4H-1,3-benzothiazin-2-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4H-1,3-benzothiazin-2-amine
PubChem CID135010902
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC NameN-(2,6-dimethylphenyl)-4H-1,3-benzothiazin-2-amine
SMILESCc1cccc(C)c1NC1=NCc2ccccc2S1
InChIInChI=1S/C16H16N2S/c1-11-6-5-7-12(2)15(11)18-16-17-10-13-8-3-4-9-14(13)19-16/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyTUCNMTWZYOUJBY-UHFFFAOYSA-N
XLogP4.38
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.38
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)-4H-1,3-benzothiazin-2-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-4H-1,3-benzothiazin-2-amine (CID 135010902) is N-(2,6-dimethylphenyl)-4H-1,3-benzothiazin-2-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4H-1,3-benzothiazin-2-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-4H-1,3-benzothiazin-2-amine is Cc1cccc(C)c1NC1=NCc2ccccc2S1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4H-1,3-benzothiazin-2-amine?
The InChIKey is TUCNMTWZYOUJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-11-6-5-7-12(2)15(11)18-16-17-10-13-8-3-4-9-14(13)19-16/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of N-(2,6-dimethylphenyl)-4H-1,3-benzothiazin-2-amine?
N-(2,6-dimethylphenyl)-4H-1,3-benzothiazin-2-amine has a molecular weight of 268.38 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4H-1,3-benzothiazin-2-amine is sourced from PubChem (CID 135010902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).