LY2087101   

GtoPdb Ligand ID: 3992

Synonyms: LY 2087101 | LY-2087101
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 98.47
Molecular weight 318.03
XLogP 3.05
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Fc1ccc(cc1)Nc1nc(c(s1)C(=O)c1cscc1)C
Isomeric SMILES Fc1ccc(cc1)Nc1nc(c(s1)C(=O)c1cscc1)C
InChI InChI=1S/C15H11FN2OS2/c1-9-14(13(19)10-6-7-20-8-10)21-15(17-9)18-12-4-2-11(16)3-5-12/h2-8H,1H3,(H,17,18)
InChI Key PEAMDZVDNYENPN-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
N-(4-fluorophenyl)-4-methyl-5-[(thiophen-3-yl)carbonyl]-1,3-thiazol-2-amine
Synonyms
LY 2087101 | LY-2087101
Database Links
CAS Registry No. 913186-74-0 (source: Scifinder)
GtoPdb PubChem SID 178100818
PubChem CID 11964458
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Tocris
LY 2087101
Cat. No. 4141