Basic information
- Standard SMILES
CCOC(=O)CC(=O)Nc1nc(-c2ccc(OC)cc2)c(-c2cccnc2)s1- InChIKey
NXQKGOYTKKTKLD-UHFFFAOYSA-N- Molecular formula
- C20H19N3O4S
- Average molar mass
- 397.4 g/mol
Names & identifiers
- Preferred name
- 2-Ethoxycarbonylacetylamino-4-(4-methoxyphenyl)-5-(3-pyridyl)-1,3-thiazole
- IUPAC
- ethyl 3-[[4-(4-methoxyphenyl)-5-pyridin-3-yl-1,3-thiazol-2-yl]amino]-3-oxopropanoate
Names & synonyms
SCHEMBL9666416NXQKGOYTKKTKLD-UHFFFAOYSA-N2-ethoxycarbonylacetylamino-4-(4-methoxyphenyl)-5-(3-pyridyl)-1,3-thiazole
Database identifiers
- PubChem CID
- 9800947
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 528
Related reactions
2 records
Compound notes
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