5-(3-Chlorophenyl)-n-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide

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Basic information

CAS: 6220-87-7
Standard SMILES: CCc1nnc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)s1
InChIKey: JENFDLPOLMPBNI-UHFFFAOYSA-N
Molecular formula: C15H12ClN3O2S
Average molar mass: 333.8 g/mol
Monoisotopic mass: 333.0338755

Names & identifiers

Preferred name: 5-(3-Chlorophenyl)-n-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
IUPAC: 5-(3-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide

Names & synonyms

6220-87-75-(3-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-furamideCambridge id 6220877ZINC000976835-(3-chlorophenyl)-n-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamideOprea1_855199DTXSID00977783MFCD02636386AKOS001662159AB00104471-01SR-01000458229SR-01000458229-1

Show more names

5-(3-Chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene)furan-2-carboxamide

Database identifiers

CAS: 6220-87-7
PubChem CID: 708699
DTXSID: DTXSID00977783

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 96.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 401

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