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Basic information
- Standard SMILES
Cc1nc(-c2cn(Cc3ccc(C(F)(F)F)cc3)nn2)sc1C(=O)O- InChIKey
MQPUFAZIDIXATE-UHFFFAOYSA-N- Molecular formula
- C15H11F3N4O2S
- Average molar mass
- 368.3 g/mol
- Monoisotopic mass
- 368.05548127
Names & identifiers
- Preferred name
- 4-methyl-2-(1-(4-(trifluoromethyl)benzyl)-1H-1,2,3-triazol-4-yl)thiazole-5-carboxylic acid
- IUPAC
- 4-methyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]-1,3-thiazole-5-carboxylic acid
Names & synonyms
4-methyl-2-(1-(4-(trifluoromethyl)benzyl)-1H-1,2,3-triazol-4-yl)thiazole-5-carboxylic acidSCHEMBL3053097
Database identifiers
- PubChem CID
- 59179682
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 488
Related reactions
3 records
Compound notes
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