Basic information
- Standard SMILES
COC(=O)/C=C/c1cnc(Nc2nc(C)cs2)c(Oc2ccccc2)c1- InChIKey
PLULIFHCXPGSJY-CMDGGOBGSA-N- Molecular formula
- C19H17N3O3S
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.09906259
Names & identifiers
- Preferred name
- (E)-methyl 3-(6-(4-methylthiazol-2-ylamino)-5-phenoxypyridin-3-yl)acrylate
- IUPAC
- methyl (E)-3-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenoxy-3-pyridinyl]prop-2-enoate
Names & synonyms
SCHEMBL1328612PLULIFHCXPGSJY-CMDGGOBGSA-N(E)-methyl 3-(6-(4-methylthiazol-2-ylamino)-5-phenoxypyridin-3-yl)acrylate
Database identifiers
- PubChem CID
- 86631473
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 485
Related reactions
4 records
Compound notes
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