Basic information
- Standard SMILES
COc1ccc(F)c(F)c1C(=O)c1sc(NC2CCN(S(C)(=O)=O)CC2)nc1N- InChIKey
VHYXTORZGAPANF-UHFFFAOYSA-N- Molecular formula
- C17H20F2N4O4S2
- Average molar mass
- 446.5 g/mol
Names & identifiers
- Preferred name
- [4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)thiazol-5-yl]-(2,3-difluoro-6-methoxyphenyl)methanone
- IUPAC
- [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2,3-difluoro-6-methoxyphenyl)methanone
Names & synonyms
SCHEMBL3386067VHYXTORZGAPANF-UHFFFAOYSA-N[4-amino-2-(1-methanesulfonylpiperidin-4-ylamino)thiazol-5-yl]-(2,3-difluoro-6-methoxyphenyl)methanone
Database identifiers
- PubChem CID
- 11655245
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 687
Related reactions
2 records
Compound notes
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