N-(2,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine

C15H14N2O2S — CID 894505

IUPACN-(2,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
SMILESCc1ccc(C)c(NC2=NS(=O)(=O)c3ccccc32)c1
InChIInChI=1S/C15H14N2O2S/c1-10-7-8-11(2)13(9-10)16-15-12-5-3-4-6-14(12)20(18,19)17-15/h3-9H,1-2H3,(H,16,17)
InChIKeyXMEQPEOCZZYJPU-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.86
Rot. Bonds1

About N-(2,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine

N-(2,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine (PubChem CID 894505) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
PubChem CID894505
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-(2,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
SMILESCc1ccc(C)c(NC2=NS(=O)(=O)c3ccccc32)c1
InChIInChI=1S/C15H14N2O2S/c1-10-7-8-11(2)13(9-10)16-15-12-5-3-4-6-14(12)20(18,19)17-15/h3-9H,1-2H3,(H,16,17)
InChIKeyXMEQPEOCZZYJPU-UHFFFAOYSA-N
XLogP2.86
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[N-(2-ethylphenyl)-2,2,2-trifluoroethanimidoyl]benzenesulfonamide
CID 5557781
N-(2,4-difluorophenyl)-N'-(phenylsulfonyl)benzenecarboximidamide
CID 5886354
N-[3-(trifluoromethyl)phenyl]-1,2-benzothiazol-3-amine 1,1-dioxide
CID 716638
N-(3-methylphenyl)-6-nitro-1,2-benzothiazol-3-amine 1,1-dioxide
CID 610243
N-mesityl-1,2-benzisothiazol-3-amine 1,1-dioxide
CID 733262
{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
N-(3-bromophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
CID 716640

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The IUPAC name of N-(2,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine (CID 894505) is N-(2,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The canonical SMILES for N-(2,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is Cc1ccc(C)c(NC2=NS(=O)(=O)c3ccccc32)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The InChIKey is XMEQPEOCZZYJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-10-7-8-11(2)13(9-10)16-15-12-5-3-4-6-14(12)20(18,19)17-15/h3-9H,1-2H3,(H,16,17).
What are the key properties of N-(2,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
N-(2,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine has a molecular weight of 286.36 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is sourced from PubChem (CID 894505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).