Methyl 3-fluoro-4-(2-(5-(methoxymethyl)pyridin-2-ylamino)thiazol-5-ylthio)picolinate
Basic information
- Standard SMILES
COCc1ccc(Nc2ncc(Sc3ccnc(C(=O)OC)c3F)s2)nc1- InChIKey
QVDHKEYBCXBVNC-UHFFFAOYSA-N- Molecular formula
- C17H15FN4O3S2
- Average molar mass
- 406.5 g/mol
- Monoisotopic mass
- 406.05696086
Names & identifiers
- Preferred name
- Methyl 3-fluoro-4-(2-(5-(methoxymethyl)pyridin-2-ylamino)thiazol-5-ylthio)picolinate
- IUPAC
- methyl 3-fluoro-4-[[2-[[5-(methoxymethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylate
Names & synonyms
SCHEMBL2066312QVDHKEYBCXBVNC-UHFFFAOYSA-Nmethyl 3-fluoro-4-(2-(5-(methoxymethyl)pyridin-2-ylamino)thiazol-5-ylthio)picolinate
Database identifiers
- PubChem CID
- 59200467
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 493
Related reactions
3 records
Compound notes
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