amthamine   Click here for help

GtoPdb Ligand ID: 4025

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 93.17
Molecular weight 157.07
XLogP -0.77
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NCCc1sc(nc1C)N
Isomeric SMILES NCCc1sc(nc1C)N
InChI InChI=1S/C6H11N3S/c1-4-5(2-3-7)10-6(8)9-4/h2-3,7H2,1H3,(H2,8,9)
InChI Key LHVRFUVVRXGZPV-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-(2-aminoethyl)-4-methyl-1,3-thiazol-2-amine
Database Links Click here for help
CAS Registry No. 142437-67-0 (source: Scifinder)
ChEMBL Ligand CHEMBL293762
GtoPdb PubChem SID 178100851
PubChem CID 126688
Search Google for chemical match using the InChIKey LHVRFUVVRXGZPV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LHVRFUVVRXGZPV
Search UniChem for chemical match using the InChIKey LHVRFUVVRXGZPV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LHVRFUVVRXGZPV
Wikipedia Amthamine