Basic information
- Standard SMILES
O=C(O)CCNCc1ccc(Oc2nc3ncccc3s2)cc1- InChIKey
UXSBJISIUNNRKO-UHFFFAOYSA-N- Molecular formula
- C16H15N3O3S
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.08341252
Names & identifiers
- Preferred name
- N-[4-([1,3]Thiazolo[4,5-b]pyridin-2-yloxy)benzyl]-beta-alanine
- IUPAC
- 3-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methylamino]propanoic acid
Names & synonyms
SCHEMBL1007360UXSBJISIUNNRKO-UHFFFAOYSA-NN-[4-([1,3]Thiazolo[4,5-b]pyridin-2-yloxy)benzyl]-beta-alanine
Database identifiers
- PubChem CID
- 44479299
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 391
Related reactions
2 records
Compound notes
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