Basic information
- Standard SMILES
CC(C)(O)c1cc(F)c(-c2nc(C(N)=O)c(Nc3ccc(C(C)(C)O)nn3)s2)c(F)c1- InChIKey
PAUUCNWSPGCVRZ-UHFFFAOYSA-N- Molecular formula
- C20H21F2N5O3S
- Average molar mass
- 449.5 g/mol
- Monoisotopic mass
- 449.13331705
Names & identifiers
- Preferred name
- 2-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-5-{[6-(1-hydroxy-1-methylethyl)pyridazin-3-yl]amino}-1,3-thiazole-4-carboxamide
- IUPAC
- 2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]amino]-1,3-thiazole-4-carboxamide
Names & synonyms
SCHEMBL1246903PAUUCNWSPGCVRZ-UHFFFAOYSA-N2-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-5-{[6-(1-hydroxy-1-methylethyl)pyridazin-3-yl]amino}-1,3-thiazole-4-carboxamide
Database identifiers
- PubChem CID
- 44623045
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 646
Related reactions
2 records
Compound notes
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