Molecular Details
DICL_CP_0317406
- 6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0317406
PubChem CID
Molecular Formula
C8H5F3N2S2 Molecular Weight
250.27 g/mol
Synonyms/Alias
[326-45-4; 2-Amino-6-(trifluoromethylthio)benzothiazole; 6-((Trifluoromethyl)thio)benzo[d]thiazol-2-amine; 6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine; 6-[(trifluoromethyl)sulfanyl]-1,3-benzo...
InChI Key
PBRVVEXJMLEKMJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)
IUPAC Name
6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine
CAS Number
326-45-4
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
15 16 0 0 0 0 0 0 0 0999 V2000
0.8331 -1.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5382 -1.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7504 -0...
Experimental Data
Activity Data
Target Ion Channel
Voltage-gated potassium channel subfamily B member 1
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 22300 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−80 mV mV
Temperature
22–24 °C
Test Method
Patch-clamping
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
treating seizure disorders and pain
References
DOI
N/A (Not available)
URL
N/A (Not available)
PMID
N/A (Not available)
Patent
US9675591
Computed Properties
Heavy Atom Count
15
Rotatable Bonds
1
logP
3.4904
Complexity
55.9444
TPSA (Ų)
38.91
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
2