Ethyl 2-(5-((ethoxycarbonyl)amino)-1,2,4-thiadiazol-3-yl)acetate

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Basic information

CAS: 150215-10-4
Standard SMILES: CCOC(=O)Cc1nsc(NC(=O)OCC)n1
InChIKey: QQCRFPIUUUANCE-UHFFFAOYSA-N
Molecular formula: C9H13N3O4S
Average molar mass: 259.28 g/mol
Monoisotopic mass: 259.06267708

Names & identifiers

Preferred name: Ethyl 2-(5-((ethoxycarbonyl)amino)-1,2,4-thiadiazol-3-yl)acetate
IUPAC: ethyl 2-[5-(ethoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate

Names & synonyms

150215-10-4Ethyl 2-(5-((ethoxycarbonyl)amino)-1,2,4-thiadiazol-3-yl)acetateEthyl2-(5-((ethoxycarbonyl)amino)-1,2,4-thiadiazol-3-yl)acetateSCHEMBL8567632DTXSID80614245DB-370531Ethyl {5-[(ethoxycarbonyl)amino]-1,2,4-thiadiazol-3-yl}acetate

Database identifiers

CAS: 150215-10-4
PubChem CID: 21458503
DTXSID: DTXSID80614245

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 119 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 17
Formal charge: 0
Complexity: 277

Related reactions

1 records

New reaction record

HRID 2143440As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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