General Information of the Compound
Compound ID
CP0255165
Compound Name
4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-amine
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Synonyms
4-(2-thiazolyl)thieno[3,2-d]pyrimidine-2-amine
4-(thiazol-2-yl)thieno[3,2-d]pyrimidin-2-amine
443148-62-7
CHEMBL259111
SCHEMBL3684455
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Structure
Formula
C9H6N4S2
Molecular Weight
234.309
Canonical SMILES
Nc1nc(-c2nccs2)c2sccc2n1
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InChI
InChI=1S/C9H6N4S2/c10-9-12-5-1-3-14-7(5)6(13-9)8-11-2-4-15-8/h1-4H,(H2,10,12,13)
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InChIKey
CLNBBLGSLDNSMF-UHFFFAOYSA-N
Physicochemical Property
logP
2.397
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
64.69
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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).

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PubChem ID
CID: 9813424
SID: 14770280
ChEMBL ID
CHEMBL259111
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 35 nM
Clinical Information about the Compound
Drug 1 ( 4-(thiazol-2-yl)thieno[3,2-d]pyrimidin-2-amine )
Drug Name 4-(thiazol-2-yl)thieno[3,2-d]pyrimidin-2-amine
Target(s)
Adenosine A2a receptor (ADORA2A)
Inhibitor
Adenosine A1 receptor (ADORA1)
Inhibitor