1,1-dioxo-N-(2,4,6-trimethylphenyl)-1,2-benzothiazol-3-amine

C16H16N2O2S — CID 733262

IUPAC1,1-dioxo-N-(2,4,6-trimethylphenyl)-1,2-benzothiazol-3-amine
SMILESCc1cc(C)c(NC2=NS(=O)(=O)c3ccccc32)c(C)c1
InChIInChI=1S/C16H16N2O2S/c1-10-8-11(2)15(12(3)9-10)17-16-13-6-4-5-7-14(13)21(19,20)18-16/h4-9H,1-3H3,(H,17,18)
InChIKeyGGCVEYAQRYFNCA-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.17
Rot. Bonds1

About 1,1-dioxo-N-(2,4,6-trimethylphenyl)-1,2-benzothiazol-3-amine

1,1-dioxo-N-(2,4,6-trimethylphenyl)-1,2-benzothiazol-3-amine (PubChem CID 733262) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1,1-dioxo-N-(2,4,6-trimethylphenyl)-1,2-benzothiazol-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-(2,4,6-trimethylphenyl)-1,2-benzothiazol-3-amine
PubChem CID733262
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name1,1-dioxo-N-(2,4,6-trimethylphenyl)-1,2-benzothiazol-3-amine
SMILESCc1cc(C)c(NC2=NS(=O)(=O)c3ccccc32)c(C)c1
InChIInChI=1S/C16H16N2O2S/c1-10-8-11(2)15(12(3)9-10)17-16-13-6-4-5-7-14(13)21(19,20)18-16/h4-9H,1-3H3,(H,17,18)
InChIKeyGGCVEYAQRYFNCA-UHFFFAOYSA-N
XLogP3.17
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-1,2-benzothiazol-3-amine 1,1-dioxide
CID 2220129
1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine
CID 686902
(1,1-Dioxo-1H-1lambda*6*-benzo[d]isothiazol-3-yl)-o-tolyl-amine
CID 730903
N-[3-(trifluoromethyl)phenyl]-1,2-benzothiazol-3-amine 1,1-dioxide
CID 716638
{4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]phenyl}acetonitrile
CID 4151004
N-(Phenyl-P-tolylamino-methylene)-benzenesulfonamide
CID 5664146
3-[(2,6-Diethylphenyl)amino]benzo[d]1,2-thiazoline-1,1-dione
CID 733224
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 8195490
N-(2,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
CID 894505
N'-[(2,5-difluorophenyl)sulfonyl]-N-(2-methylphenyl)benzenecarboximidamide
CID 5648215
N'-(benzenesulfonyl)-4-fluoro-N-(2-methylphenyl)benzenecarboximidamide
CID 5673760
(1,1-Dioxo-1H-1lambda*6*-benzo[d]isothiazol-3-yl)-diphenyl-amine
CID 52945193

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(2,4,6-trimethylphenyl)-1,2-benzothiazol-3-amine?
The IUPAC name of 1,1-dioxo-N-(2,4,6-trimethylphenyl)-1,2-benzothiazol-3-amine (CID 733262) is 1,1-dioxo-N-(2,4,6-trimethylphenyl)-1,2-benzothiazol-3-amine.
What is the SMILES notation for 1,1-dioxo-N-(2,4,6-trimethylphenyl)-1,2-benzothiazol-3-amine?
The canonical SMILES for 1,1-dioxo-N-(2,4,6-trimethylphenyl)-1,2-benzothiazol-3-amine is Cc1cc(C)c(NC2=NS(=O)(=O)c3ccccc32)c(C)c1.
What is the InChIKey of 1,1-dioxo-N-(2,4,6-trimethylphenyl)-1,2-benzothiazol-3-amine?
The InChIKey is GGCVEYAQRYFNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-10-8-11(2)15(12(3)9-10)17-16-13-6-4-5-7-14(13)21(19,20)18-16/h4-9H,1-3H3,(H,17,18).
What are the key properties of 1,1-dioxo-N-(2,4,6-trimethylphenyl)-1,2-benzothiazol-3-amine?
1,1-dioxo-N-(2,4,6-trimethylphenyl)-1,2-benzothiazol-3-amine has a molecular weight of 300.38 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(2,4,6-trimethylphenyl)-1,2-benzothiazol-3-amine is sourced from PubChem (CID 733262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).