Basic information
- Standard SMILES
O=C(O)CCNc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1- InChIKey
OGKHLOKWFGATCA-UHFFFAOYSA-N- Molecular formula
- C24H20FN3O2S
- Average molar mass
- 433.5 g/mol
- Monoisotopic mass
- 433.12602622
Names & identifiers
- Preferred name
- 3-(3-Fluoro-4-(5-(1-phenylcyclopropyl)thiazolo[5,4-b]pyridin-2-yl)phenylamino)propanoic acid
- IUPAC
- 3-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]anilino]propanoic acid
Names & synonyms
CHEMBL1950561SCHEMBL1662060OGKHLOKWFGATCA-UHFFFAOYSA-NBDBM503644193-(3-fluoro-4-(5-(1-phenylcyclopropyl)thiazolo[5,4-b]pyridin-2-yl)phenylamino)propanoic acid
Database identifiers
- PubChem CID
- 44599686
- ChEMBL
CHEMBL1950561
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 642
Related reactions
2 records
Compound notes
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