General Information of the Compound
Compound ID
CP0375397
Compound Name
2-Methyl-4-phenylethynyl-thiazole
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Synonyms
2-Methyl-4-(phenylethynyl)thiazole
2-Methyl-4-phenylethynyl-thiazole
329203-01-2
BDBM50122759
CHEMBL63042
NZHWBWVBWDOSJY-UHFFFAOYSA-N
SCHEMBL5653485
Thiazole, 2-methyl-4-(2-phenylethynyl)-
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Structure
Formula
C12H9NS
Molecular Weight
199.278
Canonical SMILES
Cc1nc(cs1)C#Cc1ccccc1
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InChI
InChI=1S/C12H9NS/c1-10-13-12(9-14-10)8-7-11-5-3-2-4-6-11/h2-6,9H,1H3
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InChIKey
NZHWBWVBWDOSJY-UHFFFAOYSA-N
Physicochemical Property
logP
2.85132
Rotatable Bonds
0
Heavy Atom Count
14
Polar Areas
12.89
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
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: 10921526
SID: 15972010
ChEMBL ID
CHEMBL63042
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000041 LTK-
 Cell Line Info 
Mus musculus (Mouse)  1
1
IC50 = 6 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-Methyl-4-phenylethynyl-thiazole )
Drug Name 2-Methyl-4-phenylethynyl-thiazole
Target(s)
Metabotropic glutamate receptor 5 (mGluR5)
 Target Info 
Inhibitor