General Information of the Compound
Compound ID
CP0476368
Compound Name
2-(pyrrolidin-3-yloxymethyl)-1,3-thiazole
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Structure
Formula
C8H12N2OS
Molecular Weight
184.264
Canonical SMILES
C(OC1CCNC1)c1nccs1
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InChI
InChI=1S/C8H12N2OS/c1-2-9-5-7(1)11-6-8-10-3-4-12-8/h3-4,7,9H,1-2,5-6H2
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InChIKey
BNHTVWFUKJBIGY-UHFFFAOYSA-N
Physicochemical Property
logP
1.0216
Rotatable Bonds
3
Heavy Atom Count
12
Polar Areas
34.15
Hydrogen Bond Donor Count
1
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).

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PubChem ID
CID: 75356563
ChEMBL ID
CHEMBL4072787
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: PT01310, Muscarinic acetylcholine receptor M1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 4200 nM
   TI
   LI
   LO
   TS
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 6000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 4100 nM
   TI
   LI
   LO
   TS