(S)-1-(5-(5-(pyridin-2-ylthio)-3-(1,3,5-trimethyl-1H-pyrazol-4-yloxy)pyridin-2-ylamino)-1,2,4-thiadiazol-3-yl)ethane-1,2-diol hydrochloride
Basic information
- Standard SMILES
Cc1nn(C)c(C)c1Oc1cc(Sc2ccccn2)cnc1Nc1nc([C@H](O)CO)ns1.Cl- InChIKey
OUWCQGXZLOKVRE-PFEQFJNWSA-N- Molecular formula
- C20H22ClN7O3S2
- Average molar mass
- 508 g/mol
Names & identifiers
- Preferred name
- (S)-1-(5-(5-(pyridin-2-ylthio)-3-(1,3,5-trimethyl-1H-pyrazol-4-yloxy)pyridin-2-ylamino)-1,2,4-thiadiazol-3-yl)ethane-1,2-diol hydrochloride
- IUPAC
- (1S)-1-[5-[[5-pyridin-2-ylsulfanyl-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]ethane-1,2-diol;hydrochloride
Names & synonyms
SCHEMBL2657709OUWCQGXZLOKVRE-PFEQFJNWSA-N(S)-1-(5-(5-(pyridin-2-ylthio)-3-(1,3,5-trimethyl-1H-pyrazol-4-yloxy)pyridin-2-ylamino)-1,2,4-thiadiazol-3-yl)ethane-1,2-diol hydrochloride
Database identifiers
- PubChem CID
- 67486348
Properties
Computed structural properties
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 597
Related reactions
3 records
Compound notes
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