Basic information
- Standard SMILES
CCCCCC(=O)/C=C/c1sc(C)nc1CCCCCCC(=O)O- InChIKey
OCUOIXPYMRKHNL-BUHFOSPRSA-N- Molecular formula
- C19H29NO3S
- Average molar mass
- 351.5 g/mol
Names & identifiers
- Preferred name
- 2-Methyl-4-(6-carboxyhexyl)-5-(3-keto-1-trans-octenyl)-thiazole
- IUPAC
- 7-[2-methyl-5-[(E)-3-oxooct-1-enyl]-1,3-thiazol-4-yl]heptanoic acid
Names & synonyms
SCHEMBL11736683OCUOIXPYMRKHNL-BUHFOSPRSA-N2-methyl-4-(6-carboxyhexyl)-5-(3-keto-1-trans-octenyl)-thiazole
Database identifiers
- PubChem CID
- 21406427
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 411
Related reactions
2 records
Compound notes
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