Basic information
- Standard SMILES
CCCCN1N=C(C)S/C1=C\C(=O)c1cscn1- InChIKey
MNBRAFSCEFZHRP-SDQBBNPISA-N- Molecular formula
- C12H15N3OS2
- Average molar mass
- 281.4 g/mol
Names & identifiers
- Preferred name
- (2Z)-2-(3-butyl-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene)-1-(1,3-thiazol-4-yl)ethanone
- IUPAC
- (2Z)-2-(3-butyl-5-methyl-1,3,4-thiadiazol-2-ylidene)-1-(1,3-thiazol-4-yl)ethanone
Names & synonyms
SCHEMBL4784548MNBRAFSCEFZHRP-SDQBBNPISA-N(2Z)-2-(3-butyl-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene)-1-(1,3-thiazol-4-yl)ethanone
Database identifiers
- PubChem CID
- 24955701
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 382
Related reactions
1 records
Compound notes
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