Basic information
- Standard SMILES
COCCOc1ccc(-c2c(C#N)c(N)nc(SCc3csc(-c4ccccn4)n3)c2C#N)cc1- InChIKey
CDXMBGKQMOUPOR-UHFFFAOYSA-N- Molecular formula
- C25H20N6O2S2
- Average molar mass
- 500.6 g/mol
Names & identifiers
- Preferred name
- 2-Amino-4-[4-(2-methoxyethoxy)phenyl]-6-[(2-(2-pyridyl)-1,3-thiazol-4-yl)methylsulphanyl]pyridine-3,5-dicarbonitrile
- IUPAC
- 2-amino-4-[4-(2-methoxyethoxy)phenyl]-6-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile
Names & synonyms
SCHEMBL4428648CDXMBGKQMOUPOR-UHFFFAOYSA-N2-Amino-4-[4-(2-methoxyethoxy)phenyl]-6-[(2-(2-pyridyl)-1,3-thiazol-4-yl)methyl -sulphanyl]pyridine-3,5-dicarbonitrile2-Amino-4-[4-(2-methoxyethoxy)phenyl]-6-[(2-(2-pyridyl)-1,3-thiazol-4-yl)methyl-sulphanyl]pyridine-3,5-dicarbonitrile2-Amino-4-[4-(2-methoxyethoxy)phenyl]-6-[(2-(2-pyridyl)-1,3-thiazol-4-yl)methylsulphanyl]pyridine-3,5-dicarbonitrile
Database identifiers
- PubChem CID
- 21949079
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 764
Related reactions
2 records
Compound notes
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