General Information of the Compound
Compound ID
CP0520814
Compound Name
4-(1-methylimidazol-4-yl)-1,3-thiazole
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Structure
Formula
C7H7N3S
Molecular Weight
165.221
Canonical SMILES
Cn1cnc(c1)-c1cscn1
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InChI
InChI=1S/C7H7N3S/c1-10-2-6(8-4-10)7-3-11-5-9-7/h2-5H,1H3
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InChIKey
UGXGVFFIKWVJPE-UHFFFAOYSA-N
Physicochemical Property
logP
1.5436
Rotatable Bonds
1
Heavy Atom Count
11
Polar Areas
30.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
11

"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: 117935576
ChEMBL ID
CHEMBL4225253
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: PT02185, Sodium- and chloride-dependent glycine transporter 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 20000 nM
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   LI
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