General Information of the Compound
Compound ID
CP0315389
Compound Name
2-(thiophen-2-yl)ethanamine
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Structure
Formula
C6H9NS
Molecular Weight
127.212
Canonical SMILES
NCCc1cccs1
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InChI
InChI=1S/C6H9NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4,7H2
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InChIKey
HVLUYXIJZLDNIS-UHFFFAOYSA-N
CAS
64059-34-3
Physicochemical Property
logP
1.2493
Rotatable Bonds
2
Heavy Atom Count
8
Polar Areas
26.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
8

"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: 116521
SID: 15146584
ChEMBL ID
CHEMBL252803
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: PT04763, Trace amine-associated receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 8.3 nM
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