General Information of the Compound
Compound ID
CP0474541
Compound Name
2-(4-(pyridin-2-yl)thiazol-2-yl)pyridine
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Structure
Formula
C13H9N3S
Molecular Weight
239.303
Canonical SMILES
c1sc(nc1-c1ccccn1)-c1ccccn1
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InChI
InChI=1S/C13H9N3S/c1-3-7-14-10(5-1)12-9-17-13(16-12)11-6-2-4-8-15-11/h1-9H
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InChIKey
AQRRBNTVDFDFLM-UHFFFAOYSA-N
Physicochemical Property
logP
3.2671
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
38.67
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
17

"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).

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PubChem ID
CID: 23373327
ChEMBL ID
CHEMBL523626
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: PT04088, Small conductance calcium-activated potassium channel protein 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS