General Information of the Compound
Compound ID
CP0477148
Compound Name
N-[5-[2-(2-hydroxyethylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
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Structure
Formula
C11H14N4O2S2
Molecular Weight
298.393
Canonical SMILES
CC(=O)Nc1nc(C)c(s1)-c1csc(NCCO)n1
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InChI
InChI=1S/C11H14N4O2S2/c1-6-9(19-11(13-6)14-7(2)17)8-5-18-10(15-8)12-3-4-16/h5,16H,3-4H2,1-2H3,(H,12,15)(H,13,14,17)
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InChIKey
PGPPITSUVBAOTE-UHFFFAOYSA-N
Physicochemical Property
logP
1.93762
Rotatable Bonds
5
Heavy Atom Count
19
Polar Areas
87.14
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Complexity
19

"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: 11220250
SID: 16303374
ChEMBL ID
CHEMBL4556068
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: PT01034, Phosphatidylinositol 4-kinase beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 4500 nM
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