Basic information
- Standard SMILES
CCOC(=O)N1SC(C(C)(C)C)=NC1C(=O)C(NC(C)=O)C(C)C- InChIKey
WADIVGOILNIUOU-UHFFFAOYSA-N- Molecular formula
- C16H27N3O4S
- Average molar mass
- 357.5 g/mol
Names & identifiers
- Preferred name
- 3-(2-Acetylamino-3-methyl-butyryl)-5-tert-butyl-2,3-dihydro-[1,2,4]thiadiazole-2-carboxylic Acid Ethyl Ester
- IUPAC
- ethyl 3-(2-acetamido-3-methylbutanoyl)-5-tert-butyl-3H-1,2,4-thiadiazole-2-carboxylate
Names & synonyms
SCHEMBL3470861WADIVGOILNIUOU-UHFFFAOYSA-N3-(2-Acetylamino-3-methyl-butyryl)-5-tert-butyl-2,3-dihydro-[1,2,4]thiadiazole-2-carboxylic Acid Ethyl Ester3-(2-Acetylamino-3-methylbutyryl)-5-tert-butyl-2,3-dihydro-[1,2,4] thiadiazole-2-carboxylic acid ethyl ester3-(2-Acetylamino-3-methylbutyryl)-5-tert-butyl-2,3-dihydro-[1,2,4]thiadiazole-2-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 68655348
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 540
Related reactions
4 records
Compound notes
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