N-(4-(4-(4-methoxybenzyl)-2,6-dimethylphenyl)thiazol-2-yl)isonicotinamide
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Basic information
- Standard SMILES
COc1ccc(Cc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(C)c2)cc1- InChIKey
ILXXCNQLKQLLNW-UHFFFAOYSA-N- Molecular formula
- C25H23N3O2S
- Average molar mass
- 429.5 g/mol
Names & identifiers
- Preferred name
- N-(4-(4-(4-methoxybenzyl)-2,6-dimethylphenyl)thiazol-2-yl)isonicotinamide
- IUPAC
- N-[4-[4-[(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
Names & synonyms
SCHEMBL2381439CHEMBL4751729ILXXCNQLKQLLNW-UHFFFAOYSA-NN-(4-(4-(4-methoxybenzyl)-2,6-dimethylphenyl)thiazol-2-yl)isonicotinamide
Database identifiers
- PubChem CID
- 53389652
- ChEMBL
CHEMBL4751729
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 565
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Related reactions
4 records
Compound notes
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