Ethyl (2E)-(4-amino-3-phenyl-1,3-thiazol-2(3H)-ylidene)(cyano)acetate
Basic information
- CAS
59615-84-8- Standard SMILES
CCOC(=O)/C(C#N)=C1/SC=C(N)N1c1ccccc1- InChIKey
MHWCDGSRDAGZHU-ACCUITESSA-N- Molecular formula
- C14H13N3O2S
- Average molar mass
- 287.34 g/mol
- Monoisotopic mass
- 287.07284784
Names & identifiers
- Preferred name
- Ethyl (2E)-(4-amino-3-phenyl-1,3-thiazol-2(3H)-ylidene)(cyano)acetate
- IUPAC
- ethyl (2E)-2-(4-amino-3-phenyl-1,3-thiazol-2-ylidene)-2-cyanoacetate
Names & synonyms
59615-84-8DTXSID30586266NSC353490AKOS000279711Ethyl (2E)-(4-amino-3-phenyl-1,3-thiazol-2(3H)-ylidene)(cyano)acetateNSC-353490
Database identifiers
- CAS
59615-84-8- PubChem CID
- 16638432
- DTXSID
DTXSID30586266
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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