Basic information
- Standard SMILES
COc1ncc(-c2cccc(-n3cnc(C(=O)c4ncc(C)s4)c3)c2)c(OC)n1- InChIKey
WVRQBTUGPYXTCI-UHFFFAOYSA-N- Molecular formula
- C20H17N5O3S
- Average molar mass
- 407.4 g/mol
- Monoisotopic mass
- 407.10521059
Names & identifiers
- Preferred name
- {1-[3-(2,4-Dimethoxy-pyrimidin-5-yl)-phenyl]-1H-imidazol-4-yl}-(5-methyl-thiazol-2-yl)-methanone
- IUPAC
- [1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(5-methyl-1,3-thiazol-2-yl)methanone
Names & synonyms
SCHEMBL2498120WVRQBTUGPYXTCI-UHFFFAOYSA-N{1-[3-(2,4-Dimethoxy-pyrimidin-5-yl)-phenyl]-1H-imidazol-4-yl}-(5-methyl-thiazol-2-yl)-methanone
Database identifiers
- PubChem CID
- 67429660
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 570
Related reactions
2 records
Compound notes
Loading…