Molecular Details
DICL_CP_0317981
- N,4-dipyridin-2-yl-1,3-thiazol-2-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0317981
PubChem CID
Molecular Formula
C13H10N4S Molecular Weight
254.318 g/mol
Synonyms/Alias
[3374-88-7; ICA; Pyridin-2-yl-(4-pyridin-2-yl-thiazol-2-yl)-amine; TCMDC-124275; N;4-dipyridin-2-yl-1;3-thiazol-2-amine; GNF-PF-4773; CHEMBL489770; GW354586X; CBMicro_026353; Cambridge id 5625000; SCH...
InChI Key
RYCUBTFYRLAMFA-UHFFFAOYSA-N
InChI
InChI=1S/C13H10N4S/c1-3-7-14-10(5-1)11-9-18-13(16-11)17-12-6-2-4-8-15-12/h1-9H,(H,15,16,17)
IUPAC Name
N,4-dipyridin-2-yl-1,3-thiazol-2-amine
CAS Number
696628-24-7
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
28 30 0 0 0 0 0 0 0 0999 V2000
4.7647 -1.7528 0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7141 -0.7636 -0.1453 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2952 0.558...
Experimental Data
Activity Data
Target Ion Channel
Small conductance calcium activated potassium channel protein 3
Uniprot Accession Number
Function
Blocker
Species
Rattus norvegicus (Rat)
IC50
IC50: 543 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
18
Rotatable Bonds
3
logP
3.3437
Complexity
72.8647
TPSA (Ų)
50.7
H-Bond Donors
1
H-Bond Acceptors
5
Ring Count
3