Basic information
- Standard SMILES
N#Cc1c(N)nc(SCc2csc(Nc3ccc(F)cc3)n2)c(C#N)c1-c1ccc(OCCO)cc1- InChIKey
IOPHSHQJHBKYFH-UHFFFAOYSA-N- Molecular formula
- C25H19FN6O2S2
- Average molar mass
- 518.6 g/mol
Names & identifiers
- Preferred name
- 2-Amino-6-[({2-[(4-fluorophenyl)amino]-1,3-thiazol-4-yl}methyl)thio]-4-[4-(2-hydroxyethoxy)-phenyl]pyridine-3,5-dicarbonitrile
- IUPAC
- 2-amino-6-[[2-(4-fluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
Names & synonyms
SCHEMBL3587440IOPHSHQJHBKYFH-UHFFFAOYSA-N2-Amino-6-[({2-[(4-fluorophenyl)amino]-1,3-thiazol-4-yl}methyl)thio]-4-[4-(2-hydroxyethoxy)-phenyl]pyridine-3,5-dicarbonitrile
Database identifiers
- PubChem CID
- 11620565
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 194 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 792
Related reactions
1 records
Compound notes
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