Basic information
- CAS
420808-60-2- Standard SMILES
O=C(Nc1ccccc1)Nc1nnc(Cc2ccc(F)cc2)s1- InChIKey
UFAOFDMYTKUVEZ-UHFFFAOYSA-N- Molecular formula
- C16H13FN4OS
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.07941039
Names & identifiers
- Preferred name
- 1-[5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylurea
- IUPAC
- 1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylurea
Names & synonyms
420808-60-21-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylurea1-[5-(4-fluorobenzyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea1-(5-(4-fluorobenzyl)-1,3,4-thiadiazol-2-yl)-3-phenylureaCBMicro_006874Oprea1_352864MLS001195181CHEMBL1369643DTXSID601330462HMS2826G18SMSF0007800STK026891
Show more names
AKOS005380497CB09555SMR000503088BIM-0006979.P001Z1196401890N-{5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-N'-phenylurea
Database identifiers
- CAS
420808-60-2- PubChem CID
- 940392
- DTXSID
DTXSID601330462- ChEMBL
CHEMBL1369643
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 386
Experimental & physicochemical properties
Solubility0.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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