General Information of the Compound
Compound ID
CP0103385
Compound Name
2-(4''-methylaminophenyl)-6-hydroxybenzothiazole
    Show/Hide
Synonyms
2-(4'-methylaminophenyl)-6-hydroxybenzothiazole
2-(4-(methylamino)phenyl)benzo[d]thiazol-6-ol
2-(4-Methylamino-phenyl)-benzothiazol-6-ol
2-[4'-(methylamino)phenyl]-6-hydroxybenzothiazole
4-methylamino-phenyl)-benzothiazol-6-ol
566169-93-5
AJ-45711
AK-87409
AKOS022184240
BDBM50129793
CHEMBL93124
FC-3012
K6396E6G8G
MolPort-028-616-384
PIB authentic (6-OH-BTA-1) free base
Pittsburgh compound B unlabelled
SCHEMBL912744
UNII-K6396E6G8G
ZINC3816332
ZQAQXZBSGZUUNL-UHFFFAOYSA-N
    Show/Hide
Structure
Formula
C14H12N2OS
Molecular Weight
256.33
Canonical SMILES
CNc1ccc(cc1)-c1nc2ccc(O)cc2s1
    Show/Hide
InChI
InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3
    Show/Hide
InChIKey
ZQAQXZBSGZUUNL-UHFFFAOYSA-N
CAS
566169-93-5
Physicochemical Property
logP
3.7106
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
45.15
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
18

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 10171487
SID: 15165477
ChEMBL ID
CHEMBL93124
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04359, Sulfotransferase 1A1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 5.1 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT02668, Sulfotransferase 1E1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
Km = 1600 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(4-(methylamino)phenyl)benzo[d]thiazol-6-ol )
Drug Name 2-(4-(methylamino)phenyl)benzo[d]thiazol-6-ol
Target(s)
Amyloid beta A4 protein (APP)
 Target Info 
Inhibitor