Basic information
- Standard SMILES
Cc1nc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2CNC(=O)c2c(C)nc3sccn23)c(-c2ccc(C(F)(F)F)cc2)s1- InChIKey
STOSBHZSXXNUMY-YSIASYRMSA-N- Molecular formula
- C27H26F3N5O2S2
- Average molar mass
- 573.7 g/mol
Names & identifiers
- Preferred name
- 6-Methyl-imidazo[2,1-b]thiazole-5-carboxylic acid-(1S,2S,5R)-{3-[2-methyl-5-(4-trifluoromethyl-phenyl)-thiazole-4-carbonyl]-3-aza-bicyclo[3.3.0]oct-2-ylmethyl}-amide
- IUPAC
- N-[[(3S,3aS,6aR)-2-[2-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
Names & synonyms
6-Methyl-imidazo[2,1-b]thiazole-5-carboxylic acid-(1S,2S,5R)-{3-[2-methyl-5-(4-trifluoromethyl-phenyl)-thiazole-4-carbonyl]-3-aza-bicyclo[3.3.0]oct-2-ylmethyl}-amideSCHEMBL496399
Database identifiers
- PubChem CID
- 25154702
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 936
Related reactions
1 records
Compound notes
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