Basic information
- Standard SMILES
c1ccc(Oc2cc(Sc3ccccn3)cnc2Nc2nc(C3CCNCC3)ns2)cc1- InChIKey
XXNRDNXIPHATNM-UHFFFAOYSA-N- Molecular formula
- C23H22N6OS2
- Average molar mass
- 462.6 g/mol
- Monoisotopic mass
- 462.12965169
Names & identifiers
- Preferred name
- 3-Phenoxy-N-(3-(piperidin-4-yl)-1,2,4-thiadiazol-5-yl)-5-(pyridin-2-ylthio)pyridin-2-amine
- IUPAC
- N-(3-phenoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-3-piperidin-4-yl-1,2,4-thiadiazol-5-amine
Names & synonyms
SCHEMBL1329787XXNRDNXIPHATNM-UHFFFAOYSA-N3-Phenoxy-N-(3-(piperidin-4-yl)-1,2,4-thiadiazol-5-yl)-5-(pyridin-2-ylthio) pyridin-2-amine3-Phenoxy-N-(3-(piperidin-4-yl)-1,2,4-thiadiazol-5-yl)-5-(pyridin-2-ylthio)pyridin-2-amineN-(3-phenoxy-5-(pyridin-2-ylthio)pyridin-2-yl)-3-(piperidin-4-yl)-1,2,4-thiadiazol-5-amine
Database identifiers
- PubChem CID
- 57742792
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 563
Related reactions
14 records
Compound notes
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