1-[5-[(2-Fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylurea
Basic information
- CAS
497866-23-6- Standard SMILES
O=C(Nc1ccccc1)Nc1nnc(COc2ccccc2F)s1- InChIKey
MSOHUKLXDPFFLP-UHFFFAOYSA-N- Molecular formula
- C16H13FN4O2S
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.07432501
Names & identifiers
- Preferred name
- 1-[5-[(2-Fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylurea
- IUPAC
- 1-[5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylurea
Names & synonyms
MLS0007690151-[5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylureaSMR0004338251-[5-(2-Fluoro-phenoxymethyl)-[1,3,4]thiadiazol-2-yl]-3-phenyl-urea1-(5-((2-fluorophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea497866-23-6cid_949458CHEMBL1501383BDBM95783DTXSID401330492HMS2792F17STK613841
Show more names
AKOS005548297AKOS0305178871-[5-[(2-fluoranylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-phenyl-urea1-[5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-phenyl-ureaN-{5-[(2-Fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-N'-phenylurea1-[(2Z)-5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]-3-phenylurea
Database identifiers
- CAS
497866-23-6- PubChem CID
- 949458
- DTXSID
DTXSID401330492- ChEMBL
CHEMBL1501383
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 412
Experimental & physicochemical properties
Solubility0.6 [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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