Molecular Details
DICL_CP_0320210
- N-(4-methylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0320210
PubChem CID
Molecular Formula
C14H12N4S Molecular Weight
268.345 g/mol
Synonyms/Alias
[CHEMBL476339; GNF-Pf-4739; SCHEMBL5157963; SMSSF-0625076; BDBM50263327; AKOS024284063; AMS_CNC_ID-1808625351; PD119481; DB-212836; 2-(4-methylpyridylamino)-4-(2-pyridyl)thiazole; SR-01000477175; SR-0...
InChI Key
QMEBVRXZLKAAIG-UHFFFAOYSA-N
InChI
InChI=1S/C14H12N4S/c1-10-5-7-16-13(8-10)18-14-17-12(9-19-14)11-4-2-3-6-15-11/h2-9H,1H3,(H,16,17,18)
IUPAC Name
N-(4-methylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CAS Number
35865-11-3
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
31 33 0 0 0 0 0 0 0 0999 V2000
3.1279 1.6547 1.5339 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2000 0.2442 1.0282 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3472 -0.182...
Experimental Data
Activity Data
Target Ion Channel
Small conductance calcium activated potassium channel protein 2
Uniprot Accession Number
Function
Blocker
Species
Rattus norvegicus (Rat)
IC50
IC50: 11 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
Not mention
Test Method
Flux assay (Thallium ion)
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
19
Rotatable Bonds
3
logP
3.6521
Complexity
77.6017
TPSA (Ų)
50.7
H-Bond Donors
1
H-Bond Acceptors
5
Ring Count
3