General Information of the Compound
Compound ID
CP0881783
Compound Name
5-isopropyl-2-(pyridin-2-ylamino)thiazol-4(5H)-one
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Structure
Formula
C11H13N3OS
Molecular Weight
235.312
Canonical SMILES
CC(C)C1SC(Nc2ccccn2)=NC1=O
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InChI
InChI=1S/C11H13N3OS/c1-7(2)9-10(15)14-11(16-9)13-8-5-3-4-6-12-8/h3-7,9H,1-2H3,(H,12,13,14,15)
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InChIKey
MIDMNBLLSDSGQJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.1475
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
54.35
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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).

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PubChem ID
CID: 148487925
ChEMBL ID
CHEMBL238309
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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1400 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 4900 nM