(E)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)prop-2-enenitrile
Basic information
- CAS
5302-61-4- Standard SMILES
COc1ccccc1/C=C(\C#N)c1nc(-c2ccc(C)cc2C)cs1- InChIKey
KPGLHTFVBJUREI-GZTJUZNOSA-N- Molecular formula
- C21H18N2OS
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.11398438
Names & identifiers
- Preferred name
- (E)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)prop-2-enenitrile
- IUPAC
- (E)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)prop-2-enenitrile
Names & synonyms
5302-61-4(E)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)prop-2-enenitrile2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)acrylonitrileZINC04991110DTXSID90416772(2E)-2-[4-(2,4-DIMETHYLPHENYL)-1,3-THIAZOL-2-YL]-3-(2-METHOXYPHENYL)PROP-2-ENENITRILE
Database identifiers
- CAS
5302-61-4- PubChem CID
- 5338435
- DTXSID
DTXSID90416772
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 525
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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