General Information of the Compound
Compound ID
CP0076342
Compound Name
5-(2-aminoethyl)-4-methyl-1,3-thiazol-2-amine
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Synonyms
142437-67-0
2-AMINO-4-METHYLTHIAZOLE-5-ETHANAMINE
2-Amino-5-(2-aminoethyl)-4-methylthiazole
5-(2-aminoethyl)-4-methyl-1,3-thiazol-2-amine
5-(2-aminoethyl)-4-methylthiazol-2-amine
5-Thiazoleethanamine, 2-amino-4-methyl-
AC1L2QR3
AKOS006271424
Amthamine
BDBM22881
CHEBI:92694
CHEMBL293762
CTK8E9579
DTXSID80162039
FT-0694778
GTPL4025
J-007652
KB-47389
L000107
NCGC00024719-01
NCGC00024719-02
RL01758
RT-011284
SCHEMBL400272
Tocris-0668
ZINC5099
amthamine
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Structure
Formula
C6H11N3S
Molecular Weight
157.242
Canonical SMILES
Cc1nc(N)sc1CCN
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InChI
InChI=1S/C6H11N3S/c1-4-5(2-3-7)10-6(8)9-4/h2-3,7H2,1H3,(H2,8,9)
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InChIKey
LHVRFUVVRXGZPV-UHFFFAOYSA-N
CAS
142437-67-0
Physicochemical Property
logP
0.53492
Rotatable Bonds
2
Heavy Atom Count
10
Polar Areas
64.93
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
10

"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: 126688
SID: 14772393
ChEMBL ID
CHEMBL293762
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: PT01206, Histamine H1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
EC50 = 15848.93 nM
   TI
   LI
   LO
   TS
Protein ID: PT02406, Histamine H2 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
EC50 = 190.55 nM
   TI
   LI
   LO
   TS
Protein ID: PT01357, Histamine H2 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
EC50 = 190.55 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 6309.57 nM
   TI
   LI
   LO
   TS
Protein ID: PT01711, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 5011.87 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( amthamine )
Drug Name amthamine
Target(s)
Histamine H2 receptor (H2R)
Agonist