Methyl 4-(2-(5-aminopyridin-2-ylamino)thiazol-5-ylthio)-3-fluoropicolinate
Basic information
- Standard SMILES
COC(=O)c1nccc(Sc2cnc(Nc3ccc(N)cn3)s2)c1F- InChIKey
RSIHMCGFFPXAMR-UHFFFAOYSA-N- Molecular formula
- C15H12FN5O2S2
- Average molar mass
- 377.4 g/mol
- Monoisotopic mass
- 377.04164515
Names & identifiers
- Preferred name
- Methyl 4-(2-(5-aminopyridin-2-ylamino)thiazol-5-ylthio)-3-fluoropicolinate
- IUPAC
- methyl 4-[[2-[(5-amino-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]-3-fluoropyridine-2-carboxylate
Names & synonyms
SCHEMBL2067497RSIHMCGFFPXAMR-UHFFFAOYSA-Nmethyl 4-(2-(5-aminopyridin-2-ylamino)thiazol-5-ylthio)-3-fluoropicolinate
Database identifiers
- PubChem CID
- 59200430
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 464
Related reactions
2 records
Compound notes
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