Basic information
- Standard SMILES
CNC(=O)c1cc(Oc2ccc3nc(N[C@H]4CCCC[C@@H]4O)sc3c2)ccn1- InChIKey
ADZBMFGQQWPHMJ-YOEHRIQHSA-N- Molecular formula
- C20H22N4O3S
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.14126175
Names & identifiers
- Preferred name
- 4-(2-((1S,2S)-2-hydroxycyclohexylamino)benzo[d]thiazol-6-yloxy)-N-methylpicolinamide
- IUPAC
- 4-[[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
Names & synonyms
orb3172939SCHEMBL2676088CHEMBL4065459ADZBMFGQQWPHMJ-YOEHRIQHSA-N4-(2-((1S,2S)-2-hydroxycyclohexylamino)benzo[d]thiazol-6-yloxy)-N-methylpicolinamide953769-26-1
Database identifiers
- PubChem CID
- 57725464
- ChEMBL
CHEMBL4065459
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
3 records
Compound notes
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