General Information of the Compound
Compound ID
CP0255163
Compound Name
2-chloro-4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine
    Show/Hide
Synonyms
2-Chloro-4-(2-thiazolyl)thieno[3,2-d]pyrimidine
2-chloro-4-(thiazol-2-yl)thieno[3,2-d]pyrimidine
443148-15-0
CHEMBL260773
GWBPGRWRSLAHEX-UHFFFAOYSA-N
SCHEMBL3679573
    Show/Hide
Structure
Formula
C9H4ClN3S2
Molecular Weight
253.739
Canonical SMILES
Clc1nc(-c2nccs2)c2sccc2n1
    Show/Hide
InChI
InChI=1S/C9H4ClN3S2/c10-9-12-5-1-3-14-7(5)6(13-9)8-11-2-4-15-8/h1-4H
    Show/Hide
InChIKey
GWBPGRWRSLAHEX-UHFFFAOYSA-N
Physicochemical Property
logP
3.4682
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
38.67
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
15

"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: 44449565
ChEMBL ID
CHEMBL260773
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: PT00862, Adenosine receptor A2a
 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
EC50 > 10000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 20 nM
Clinical Information about the Compound
Drug 1 ( 2-chloro-4-(thiazol-2-yl)thieno[3,2-d]pyrimidine )
Drug Name 2-chloro-4-(thiazol-2-yl)thieno[3,2-d]pyrimidine
Target(s)
Adenosine A1 receptor (ADORA1)
 Target Info 
Inhibitor
Adenosine A2a receptor (ADORA2A)
 Target Info 
Inhibitor