General Information of the Compound
Compound ID
CP0514219
Compound Name
2-[(2-methyl-4-thiazolyl)ethynyl]pyrazine
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Synonyms
2-[(2-methyl-4-thiazolyl)ethynyl]pyrazine
CHEMBL371884
SCHEMBL4154142
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Structure
Formula
C10H7N3S
Molecular Weight
201.254
Canonical SMILES
Cc1nc(cs1)C#Cc1cnccn1
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InChI
InChI=1S/C10H7N3S/c1-8-13-10(7-14-8)3-2-9-6-11-4-5-12-9/h4-7H,1H3
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InChIKey
TZWSJNFDGNIKAZ-UHFFFAOYSA-N
Physicochemical Property
logP
1.64132
Rotatable Bonds
0
Heavy Atom Count
14
Polar Areas
38.67
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 11608117
SID: 16710874
ChEMBL ID
CHEMBL371884
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 = 1830 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-[(2-methyl-4-thiazolyl)ethynyl]pyrazine )
Drug Name 2-[(2-methyl-4-thiazolyl)ethynyl]pyrazine
Target(s)
Metabotropic glutamate receptor 5 (mGluR5)
Inhibitor