Basic information
- Standard SMILES
CC(C)(C)CCN=Cc1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)s1- InChIKey
NYJHNAUABNQTQU-UHFFFAOYSA-N- Molecular formula
- C20H33N3O2S
- Average molar mass
- 379.6 g/mol
Names & identifiers
- Preferred name
- (z)-Tert-butyl 4-(5-((3,3-dimethylbutylimino)methyl)thiazol-2-yl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[5-(3,3-dimethylbutyliminomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL2103638SCHEMBL2103641SCHEMBL2103644NYJHNAUABNQTQU-BKUYFWCQSA-N(z)-tert-butyl 4-(5-((3,3-dimethylbutylimino)methyl)thiazol-2-yl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 57774452
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 488
Related reactions
2 records
Compound notes
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