3-(2-Acetylamino-3-methyl-butyryl)-5-tert-butyl-2,3-dihydro-[1,2,4]thiadiazole-2-carboxylic Acid Ethyl Ester

HCID 68655348

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

Related reactions

4 records

Compound notes

Loading…