Basic information
- Standard SMILES
CC(C)c1nc(-c2cccc(NS(=O)(=O)c3nccs3)c2F)c(-c2ccnc(Cl)n2)s1- InChIKey
KNAJQFBTLXUKHO-UHFFFAOYSA-N- Molecular formula
- C19H15ClFN5O2S3
- Average molar mass
- 496 g/mol
- Monoisotopic mass
- 495.0060441
Names & identifiers
- Preferred name
- N-{3-[5-(2-Chloro-4-pyrimidinyl)-2-(1-methylethyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-1,3-thiazole-2-sulfonamide
- IUPAC
- N-[3-[5-(2-chloropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-1,3-thiazole-2-sulfonamide
Names & synonyms
SCHEMBL2194125KNAJQFBTLXUKHO-UHFFFAOYSA-NN-{3-[5-(2-Chloro-4-pyrimidinyl)-2-(1-methylethyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-1,3-thiazole-2-sulfonamideN-{3-[5-(2-Chloro-4-pyrimidinyl)-2-(1-methylethyl)-1,3-thiazol-4-yl]-2-fluorophenyl}1,3-thiazole-2-sulfonamide
Database identifiers
- PubChem CID
- 57989754
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 715
Related reactions
10 records
Compound notes
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