N-{3-[2-(1-amino-1-methylethyl)-5-(2-amino-4-pyrimidinyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC(C)(N)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1- InChIKey
RYJHSEMSLQCMGP-UHFFFAOYSA-N- Molecular formula
- C22H19F3N6O2S2
- Average molar mass
- 520.6 g/mol
Names & identifiers
- Preferred name
- N-{3-[2-(1-amino-1-methylethyl)-5-(2-amino-4-pyrimidinyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide
- IUPAC
- N-[3-[2-(2-aminopropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
Names & synonyms
SCHEMBL2193062RYJHSEMSLQCMGP-UHFFFAOYSA-NN-{3-[2-(1-amino-1-methylethyl)-5-(2-amino-4-pyrimidinyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide
Database identifiers
- PubChem CID
- 57989657
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 824
Related reactions
4 records
Compound notes
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