General Information of the Compound
Compound ID
CP0470012
Compound Name
5-Methyl-2-pyridin-2-yl-thiazol-4-ol
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Structure
Formula
C9H8N2OS
Molecular Weight
192.243
Canonical SMILES
Cc1sc(nc1O)-c1ccccn1
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InChI
InChI=1S/C9H8N2OS/c1-6-8(12)11-9(13-6)7-4-2-3-5-10-7/h2-5,12H,1H3
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InChIKey
KCYZXXZSLRXNOP-UHFFFAOYSA-N
CAS
131786-47-5
Physicochemical Property
logP
2.21912
Rotatable Bonds
1
Heavy Atom Count
13
Polar Areas
46.01
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
13

"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: 2763638
ChEMBL ID
CHEMBL305533
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 = 2100 nM
   TI
   LI
   LO
   TS