N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
Basic information
- CAS
292161-75-2- Standard SMILES
O=C(Nc1nnc(COc2ccc(F)cc2)s1)c1ccco1- InChIKey
PUSVAWHJTYMVBR-UHFFFAOYSA-N- Molecular formula
- C14H10FN3O3S
- Average molar mass
- 319.31 g/mol
- Monoisotopic mass
- 319.04269053
Names & identifiers
- Preferred name
- N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
- IUPAC
- N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
Names & synonyms
N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamideN-(5-((4-fluorophenoxy)methyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamideN-{5-[(4-Fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}furan-2-carboxamideOprea1_173813292161-75-2MLS000762626CHEMBL1608579DTXSID701330491HMS2786P19STL052659AKOS005705765AKOS032393169
Show more names
SMR000438153EU-0072212SR-01000438917SR-01000438917-1Furan-2-carboxylic acid [5-(4-fluoro-phenoxymethyl)-[1,3,4]thiadiazol-2-yl]-amideN-[(2E)-5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]furan-2-carboxamide
Database identifiers
- CAS
292161-75-2- PubChem CID
- 744744
- DTXSID
DTXSID701330491- ChEMBL
CHEMBL1608579
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 382
Experimental & physicochemical properties
Solubility9.1 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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