Basic information
- Standard SMILES
CC(C)Cc1c(C#N)cnc2ccc(/C=C3\SC(N)=NC3=O)cc12- InChIKey
OGVYJBNCYQDLIX-APSNUPSMSA-N- Molecular formula
- C18H16N4OS
- Average molar mass
- 336.4 g/mol
Names & identifiers
- Preferred name
- 6-[2-Amino-4-oxo-4h-thiazol-(5z)-ylidenemethyl]-4-isobutyl-quinoline-3-carbonitrile
- IUPAC
- 6-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-4-(2-methylpropyl)quinoline-3-carbonitrile
Names & synonyms
OGVYJBNCYQDLIX-APSNUPSMSA-N6-[2-amino-4-oxo-4h-thiazol-(5z)-ylidenemethyl]-4-isobutyl-quinoline-3-carbonitrile
Database identifiers
- PubChem CID
- 11624191
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 618
Related reactions
2 records
Compound notes
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