(E)-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyanilino)prop-2-enenitrile
Basic information
- CAS
5618-33-7- Standard SMILES
CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(OC)cc3)n2)cc1- InChIKey
YQZWULFXWSNTGK-GHRIWEEISA-N- Molecular formula
- C21H19N3OS
- Average molar mass
- 361.5 g/mol
- Monoisotopic mass
- 361.12488341
Names & identifiers
- Preferred name
- (E)-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyanilino)prop-2-enenitrile
- IUPAC
- (E)-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyanilino)prop-2-enenitrile
Names & synonyms
5618-33-7(E)-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyanilino)prop-2-enenitrileZINC01190618Cambridge id 5618337DTXSID30367294(2E)-2-[4-(4-Ethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyanilino)prop-2-enenitrile2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)amino]acrylonitrile
Database identifiers
- CAS
5618-33-7- PubChem CID
- 2253166
- DTXSID
DTXSID30367294
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 513
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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