General Information of the Compound
Compound ID
CP0449605
Compound Name
(E)-3-[2-(2-methyl-4-thiazolyl)vinyl]pyridine
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Synonyms
(E)-3-[2-(2-methyl-4-thiazolyl)vinyl]pyridine
CHEMBL382527
SCHEMBL4148438
SCHEMBL4148449
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Structure
Formula
C11H10N2S
Molecular Weight
202.282
Canonical SMILES
Cc1nc(\C=C\c2cccnc2)cs1
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InChI
InChI=1S/C11H10N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-8H,1H3/b5-4+
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InChIKey
HHLKCNHXNVMBFW-SNAWJCMRSA-N
Physicochemical Property
logP
3.01692
Rotatable Bonds
2
Heavy Atom Count
14
Polar Areas
25.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
14

"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: 11715388
SID: 16820307
ChEMBL ID
CHEMBL382527
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: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 3090 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( (E)-3-[2-(2-methyl-4-thiazolyl)vinyl]pyridine )
Drug Name (E)-3-[2-(2-methyl-4-thiazolyl)vinyl]pyridine
Target(s)
Metabotropic glutamate receptor 5 (mGluR5)
Inhibitor