1,1-dioxo-N,N-diphenyl-1,2-benzothiazol-3-amine

C19H14N2O2S — CID 52945193

IUPAC1,1-dioxo-N,N-diphenyl-1,2-benzothiazol-3-amine
SMILESO=S1(=O)N=C(N(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C19H14N2O2S/c22-24(23)18-14-8-7-13-17(18)19(20-24)21(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
InChIKeyJXTKCVHIKLLAPS-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.97
Rot. Bonds2

About 1,1-dioxo-N,N-diphenyl-1,2-benzothiazol-3-amine

1,1-dioxo-N,N-diphenyl-1,2-benzothiazol-3-amine (PubChem CID 52945193) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is 1,1-dioxo-N,N-diphenyl-1,2-benzothiazol-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N,N-diphenyl-1,2-benzothiazol-3-amine
PubChem CID52945193
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC Name1,1-dioxo-N,N-diphenyl-1,2-benzothiazol-3-amine
SMILESO=S1(=O)N=C(N(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C19H14N2O2S/c22-24(23)18-14-8-7-13-17(18)19(20-24)21(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
InChIKeyJXTKCVHIKLLAPS-UHFFFAOYSA-N
XLogP3.97
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,1-dioxo-N,N-diphenyl-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

3-(1,2,3,4-Tetrahydroquinolyl)benzo[d]1,2-thiazole-1,1-dione
CID 683338
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
4-(1-Phenyl-4,5-dihydroimidazol-2-yl)benzenesulfonamide
CID 145951463
N-(2,4-difluorophenyl)-4-fluoro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 5883356
N-(2,4-difluorophenyl)-N'-(phenylsulfonyl)benzenecarboximidamide
CID 5886354
N-[3-(trifluoromethyl)phenyl]-1,2-benzothiazol-3-amine 1,1-dioxide
CID 716638
N-mesityl-1,2-benzisothiazol-3-amine 1,1-dioxide
CID 733262
N-(2,4-difluorophenyl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 5883354
{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

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N,N-diphenyl-1,2-benzothiazol-3-amine?
The IUPAC name of 1,1-dioxo-N,N-diphenyl-1,2-benzothiazol-3-amine (CID 52945193) is 1,1-dioxo-N,N-diphenyl-1,2-benzothiazol-3-amine.
What is the SMILES notation for 1,1-dioxo-N,N-diphenyl-1,2-benzothiazol-3-amine?
The canonical SMILES for 1,1-dioxo-N,N-diphenyl-1,2-benzothiazol-3-amine is O=S1(=O)N=C(N(c2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of 1,1-dioxo-N,N-diphenyl-1,2-benzothiazol-3-amine?
The InChIKey is JXTKCVHIKLLAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c22-24(23)18-14-8-7-13-17(18)19(20-24)21(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H.
What are the key properties of 1,1-dioxo-N,N-diphenyl-1,2-benzothiazol-3-amine?
1,1-dioxo-N,N-diphenyl-1,2-benzothiazol-3-amine has a molecular weight of 334.40 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N,N-diphenyl-1,2-benzothiazol-3-amine is sourced from PubChem (CID 52945193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).