Basic information
- Standard SMILES
CO/C=C/c1ncc(-c2cc(C)cc(Nc3nccc(C(F)(F)F)n3)c2)s1- InChIKey
OATHCLOFYQHFEG-GQCTYLIASA-N- Molecular formula
- C18H15F3N4OS
- Average molar mass
- 392.4 g/mol
Names & identifiers
- Preferred name
- N-(3-{2-[(E)-2-methoxyethenyl]-1,3-thiazol-5-yl}-5-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
- IUPAC
- N-[3-[2-[(E)-2-methoxyethenyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine
Names & synonyms
N-(3-{2-[(E)-2-methoxyethenyl]-1,3-thiazol-5-yl}-5-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-amineSCHEMBL2039307
Database identifiers
- PubChem CID
- 58456345
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 507
Related reactions
2 records
Compound notes
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