General Information of the Compound
Compound ID
CP0270522
Compound Name
3-chloro-N-(4-methylthiazol-2-yl)benzamide
    Show/Hide
Synonyms
3-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
3-chloro-N-(4-methylthiazol-2-yl)benzamide
AC1LI75J
AKOS003848769
BDBM50186320
CHEMBL212529
MCULE-7000942763
MolPort-003-812-188
ZINC477397
    Show/Hide
Structure
Formula
C11H9ClN2OS
Molecular Weight
252.726
Canonical SMILES
Cc1csc(NC(=O)c2cccc(Cl)c2)n1
    Show/Hide
InChI
InChI=1S/C11H9ClN2OS/c1-7-6-16-11(13-7)14-10(15)8-3-2-4-9(12)5-8/h2-6H,1H3,(H,13,14,15)
    Show/Hide
InChIKey
MXGUAAMFCPDOEZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.35722
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
16

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 899301
ChEMBL ID
CHEMBL212529
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
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 15000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 3-chloro-N-(4-methylthiazol-2-yl)benzamide )
Drug Name 3-chloro-N-(4-methylthiazol-2-yl)benzamide
Target(s)
Metabotropic glutamate receptor 5 (mGluR5)
 Target Info 
Inhibitor