2-{4-[2-(Thiazolo[5,4-d]pyrimidin-7-ylamino)-ethyl]-phenoxy}-isonicotinonitrile
Basic information
- Standard SMILES
N#Cc1ccnc(Oc2ccc(CCNc3ncnc4scnc34)cc2)c1- InChIKey
JDJQZYNXAPXKIQ-UHFFFAOYSA-N- Molecular formula
- C19H14N6OS
- Average molar mass
- 374.4 g/mol
- Monoisotopic mass
- 374.09498026
Names & identifiers
- Preferred name
- 2-{4-[2-(Thiazolo[5,4-d]pyrimidin-7-ylamino)-ethyl]-phenoxy}-isonicotinonitrile
- IUPAC
- 2-[4-[2-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile
Names & synonyms
SCHEMBL2178474JDJQZYNXAPXKIQ-UHFFFAOYSA-N2-{4-[2-(thiazolo[5,4-d]pyrimidin-7-ylamino)-ethyl]-phenoxy}-isonicotinonitrile
Database identifiers
- PubChem CID
- 58338043
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 520
Related reactions
1 records
Compound notes
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