Basic information
- Standard SMILES
CCc1nc(-c2nccs2)cn1-c1ccc(CCNC(=O)OC(C)(C)C)cc1- InChIKey
QAPHJKBASLAKBJ-UHFFFAOYSA-N- Molecular formula
- C21H26N4O2S
- Average molar mass
- 398.5 g/mol
Names & identifiers
- Preferred name
- tert-butyl 2-{4-[2-ethyl-4-(1,3-thiazol-2-yl)-1H-imidazol-1-yl]phenyl}ethylcarbamate
- IUPAC
- tert-butyl N-[2-[4-[2-ethyl-4-(1,3-thiazol-2-yl)imidazol-1-yl]phenyl]ethyl]carbamate
Names & synonyms
SCHEMBL6329645QAPHJKBASLAKBJ-UHFFFAOYSA-Ntert-butyl 2-{4-[2-ethyl-4-(1,3-thiazol-2-yl)-1H-imidazol-1-yl]phenyl}ethylcarbamate
Database identifiers
- PubChem CID
- 22291392
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 505
Related reactions
1 records
Compound notes
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