General Information of the Compound
Compound ID
CP0402977
Compound Name
5-Methyl-2-(1H-pyrazol-3-yl)-thiazol-4-ol
    Show/Hide
Structure
Formula
C7H7N3OS
Molecular Weight
181.22
Canonical SMILES
Cc1sc(nc1O)-c1cc[nH]n1
    Show/Hide
InChI
InChI=1S/C7H7N3OS/c1-4-6(11)9-7(12-4)5-2-3-8-10-5/h2-3,11H,1H3,(H,8,10)
    Show/Hide
InChIKey
FWURCUCVHLVZID-UHFFFAOYSA-N
Physicochemical Property
logP
1.54722
Rotatable Bonds
1
Heavy Atom Count
12
Polar Areas
61.8
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
12

"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: 15691760
ChEMBL ID
CHEMBL69056
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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  1
1
IC50 = 31000 nM
   TI
   LI
   LO
   TS