5-Thiazolecarboxamide, N-[2,6-dibromo-4-(trifluoromethyl)phenyl]-2-methyl-4-(trifluoromethyl)-
Basic information
- CAS
130000-49-6- Standard SMILES
Cc1nc(C(F)(F)F)c(C(=O)Nc2c(Br)cc(C(F)(F)F)cc2Br)s1- InChIKey
NCOIWJBVXDMDBH-UHFFFAOYSA-N- Molecular formula
- C13H6Br2F6N2OS
- Average molar mass
- 512.06 g/mol
- Monoisotopic mass
- 509.84718
Names & identifiers
- Preferred name
- 5-Thiazolecarboxamide, N-[2,6-dibromo-4-(trifluoromethyl)phenyl]-2-methyl-4-(trifluoromethyl)-
- IUPAC
- N-[2,6-dibromo-4-(trifluoromethyl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
Names & synonyms
5-Thiazolecarboxamide, N-[2,6-dibromo-4-(trifluoromethyl)phenyl]-2-methyl-4-(trifluoromethyl)-130000-49-65-Thiazolecarboxamide, N-(2,6-dibromo-4-(trifluoromethyl)phenyl)-2-methyl-4-(trifluoromethyl)-N-[2,6-dibromo-4-(trifluoromethyl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamideDTXSID6073865NCOIWJBVXDMDBH-UHFFFAOYSA-N
Database identifiers
- CAS
130000-49-6- PubChem CID
- 182964
- DTXSID
DTXSID6073865
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…