Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(Br)n2)CC1- InChIKey
XTJLRYIKLFKCKL-UHFFFAOYSA-N- Molecular formula
- C13H18BrN3O3S
- Average molar mass
- 376.27 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-(2-bromothiazole-4-carbonyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-(2-bromo-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate
Names & synonyms
TERT-BUTYL 4-(2-BROMOTHIAZOLE-4-CARBONYL)PIPERAZINE-1-CARBOXYLATE1169698-65-0SCHEMBL2945909XTJLRYIKLFKCKL-UHFFFAOYSA-N1,1-dimethylethyl 4-((2-bromo-1,3-thiazol-4-yl)carbonyl)-1-piperazinecarboxylateDB-321599tert-butyl 4-(2-bromo-1,3-thiazole-4-carbonyl)piperazine-1-carboxylateTERT-BUTYL4-(2-BROMOTHIAZOLE-4-CARBONYL)PIPERAZINE-1-CARBOXYLATE
Database identifiers
- PubChem CID
- 58299784
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 91 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 408
Related reactions
4 records
Compound notes
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