Basic information
- Standard SMILES
CNC(=O)c1cc(Oc2ccc3nc(NC4CCCCC4O)sc3c2)ccn1- InChIKey
ADZBMFGQQWPHMJ-UHFFFAOYSA-N- Molecular formula
- C20H22N4O3S
- Average molar mass
- 398.5 g/mol
Names & identifiers
- Preferred name
- 4-((2-(((1R,2R)-2-Hydroxycyclohexyl)amino)benzo-[d]thiazol-6-yl)oxy)-N-methylpicolinamide
- IUPAC
- 4-[[2-[(2-hydroxycyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
Names & synonyms
4-((2-(((1R,2R)-2-Hydroxycyclohexyl)amino)benzo-[d]thiazol-6-yl)oxy)-N-methylpicolinamideSotuletinib (BLZ945)SCHEMBL13824540SCHEMBL30956889HMS3741C21s7725SB188734-[[2-[(2-hydroxycyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-N-methyl-pyridine-2-carboxamide
Database identifiers
- PubChem CID
- 75166035
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 540
Related reactions
1 records
Compound notes
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