Basic information
- Standard SMILES
Cc1c(C(=O)NC[C@@H]2[C@H]3C[C@H]3CN2C(=O)c2nc(N)sc2-c2cccc(F)c2)sc2nccn12- InChIKey
DNGBMROTPDPOOA-CWRNSKLLSA-N- Molecular formula
- C23H21FN6O2S2
- Average molar mass
- 496.6 g/mol
Names & identifiers
- Preferred name
- 3-Methyl-imidazo[2,1-b]thiazole-2-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]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
Names & synonyms
SCHEMBL1339629DNGBMROTPDPOOA-CWRNSKLLSA-N3-methyl-imidazo[2,1-b]thiazole-2-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
- 87229795
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 824
Related reactions
1 records
Compound notes
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