Ethyl 2-((5-(furan-2-carboxamido)-1,3,4-thiadiazol-2-yl)thio)acetate

HCID 3570554

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Basic information

CAS: 392317-93-0
Standard SMILES: CCOC(=O)CSc1nnc(NC(=O)c2ccco2)s1
InChIKey: JDSPEXYREOSOEL-UHFFFAOYSA-N
Molecular formula: C11H11N3O4S2
Average molar mass: 313.4 g/mol
Monoisotopic mass: 313.01909819

Names & identifiers

Preferred name: Ethyl 2-((5-(furan-2-carboxamido)-1,3,4-thiadiazol-2-yl)thio)acetate
IUPAC: ethyl 2-[[5-(furan-2-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate

Names & synonyms

392317-93-0ethyl 2-((5-(furan-2-carboxamido)-1,3,4-thiadiazol-2-yl)thio)acetateethyl 2-{[5-(furan-2-amido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetateethyl 2-[[5-(furan-2-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetateF0417-2045MLS001167370CHEMBL1349932DTXSID501331629HMS2962E09SMSSF-0051819AKOS024577467SMR000640765

Show more names

SR-01000006078SR-01000006078-1ethyl [5-(2-furylamino)-1,3,4-thiadiazol-2-ylthio]acetateEthyl ({5-[(furan-2-carbonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate

Database identifiers

CAS: 392317-93-0
PubChem CID: 3570554
DTXSID: DTXSID501331629
ChEMBL: CHEMBL1349932
Nikkaji: J3.499.652K

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 148 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 20
Formal charge: 0
Complexity: 359

Experimental & physicochemical properties

Solubility45.1 [ug/mL] (The mean of the results at pH 7.4)

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