Basic information
- CAS
5346-87-2- Standard SMILES
COc1cccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1- InChIKey
OIGBTBPEOAZVRJ-OQLLNIDSSA-N- Molecular formula
- C19H13ClN2OS
- Average molar mass
- 352.8 g/mol
- Monoisotopic mass
- 352.0437119
Names & identifiers
- Preferred name
- (E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)prop-2-enenitrile
- IUPAC
- (E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)prop-2-enenitrile
Names & synonyms
5346-87-2(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)prop-2-enenitrileZINC04010618DTXSID80416382AKOS0010971422-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)acrylonitrile(2E)-2-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)prop-2-enenitrile
Database identifiers
- CAS
5346-87-2- PubChem CID
- 5332986
- DTXSID
DTXSID80416382
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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