N-{5-[1-cyano-2-(4-methoxyphenyl)vinyl]-1,3,4-thiadiazol-2-yl}-N'-methoxyiminoformamide
Basic information
- CAS
338775-61-4- Standard SMILES
CONC=Nc1nnc(C(C#N)=Cc2ccc(OC)cc2)s1- InChIKey
MWSMLPXQBPDDHY-UHFFFAOYSA-N- Molecular formula
- C14H13N5O2S
- Average molar mass
- 315.35 g/mol
- Monoisotopic mass
- 315.07899585
Names & identifiers
- Preferred name
- N-{5-[1-cyano-2-(4-methoxyphenyl)vinyl]-1,3,4-thiadiazol-2-yl}-N'-methoxyiminoformamide
- IUPAC
- N'-[5-[1-cyano-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-N-methoxymethanimidamide
Names & synonyms
DTXSID201122150N-{5-[1-cyano-2-(4-methoxyphenyl)vinyl]-1,3,4-thiadiazol-2-yl}-N'-methoxyiminoformamide338775-61-4
Database identifiers
- CAS
338775-61-4- PubChem CID
- 3265779
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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