Basic information
- Standard SMILES
CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCNc2ncc(Br)cn2)cs1- InChIKey
ZVRKKJWRSBSWRK-UHFFFAOYSA-N- Molecular formula
- C17H23BrN4O2S2
- Average molar mass
- 459.4 g/mol
Names & identifiers
- Preferred name
- 2-[(4-{2-[(5-Bromopyrimidin-2-yl)amino]ethyl}-1,3-thiazol-2-yl)thio]-2-methylpropionic acid tert-butyl ester
- IUPAC
- tert-butyl 2-[[4-[2-[(5-bromopyrimidin-2-yl)amino]ethyl]-1,3-thiazol-2-yl]sulfanyl]-2-methylpropanoate
Names & synonyms
SCHEMBL2414310ZVRKKJWRSBSWRK-UHFFFAOYSA-N2-[(4-{2-[(5-bromopyrimidin-2-yl)amino]ethyl}-1,3-thiazol-2-yl)thio]-2-methylpropionic acid tert-butyl ester
Database identifiers
- PubChem CID
- 59758804
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 468
Related reactions
8 records
Compound notes
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