2-{[3-(Trifluoromethyl)phenyl]methanesulfonyl}[1,3]thiazolo[5,4-b]pyridine
Basic information
- CAS
67219-26-5- Standard SMILES
O=S(=O)(Cc1cccc(C(F)(F)F)c1)c1nc2cccnc2s1- InChIKey
BUEATKDFJTZANH-UHFFFAOYSA-N- Molecular formula
- C14H9F3N2O2S2
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.00575437
Names & identifiers
- Preferred name
- 2-{[3-(Trifluoromethyl)phenyl]methanesulfonyl}[1,3]thiazolo[5,4-b]pyridine
- IUPAC
- 2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]-[1,3]thiazolo[5,4-b]pyridine
Names & synonyms
67219-26-5NSC317624DTXSID503175392-{[3-(Trifluoromethyl)phenyl]methanesulfonyl}[1,3]thiazolo[5,4-b]pyridineNSC-317624
Database identifiers
- CAS
67219-26-5- PubChem CID
- 330281
- DTXSID
DTXSID50317539
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 521
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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