Basic information
- Standard SMILES
Nc1nc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)c2cnc3sccn23)c(-c2cccc(F)c2)s1- InChIKey
ZIOWGURXHXKYFM-AEGPPILISA-N- Molecular formula
- C22H19FN6O2S2
- Average molar mass
- 482.6 g/mol
- Monoisotopic mass
- 482.09949438
Names & identifiers
- Preferred name
- Imidazo[2,1-b]thiazole-5-carboxylic acid{(1s,2s,5r)-3-[2-amino-5-(3-fluoro-phenyl)-thiazole-4-carbonyl]-3-aza-bicyclo[3.1.0]hex-2-ylmethyl}-amide
- IUPAC
- N-[[(1S,2S,5R)-3-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
Names & synonyms
SCHEMBL1337939ZIOWGURXHXKYFM-AEGPPILISA-Nimidazo[2,1-b]thiazole-5-carboxylic acid{(1s,2s,5r)-3-[2-amino-5-(3-fluoro-phenyl)-thiazole-4-carbonyl]-3-aza-bicyclo[3.1.0]hex-2-ylmethyl}-amide
Database identifiers
- PubChem CID
- 87229692
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 794
Related reactions
1 records
Compound notes
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