Basic information
- CAS
500277-02-1- Standard SMILES
O=C(Nc1nnc(CC2=CCCCC2)s1)Nc1ccccc1F- InChIKey
DORBVBGPJWKSHK-UHFFFAOYSA-N- Molecular formula
- C16H17FN4OS
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.11071051
Names & identifiers
- Preferred name
- 1-[5-(Cyclohexen-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea
- IUPAC
- 1-[5-(cyclohexen-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea
Names & synonyms
1-[5-(cyclohex-1-en-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)ureaBAS 048560611-(5-(cyclohex-1-en-1-ylmethyl)-1,3,4-thiadiazol-2-yl)-3-(2-fluorophenyl)urea1-[5-(cyclohexen-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea500277-02-1MLS000764806CHEMBL1368327DTXSID901330459HMS2762J03STK089335AKOS000599529SMR000290411
Show more names
N-{5-[(Cyclohex-1-en-1-yl)methyl]-1,3,4-thiadiazol-2-yl}-N'-(2-fluorophenyl)urea
Database identifiers
- CAS
500277-02-1- PubChem CID
- 950286
- DTXSID
DTXSID901330459- ChEMBL
CHEMBL1368327
Properties
Computed structural properties
- XLogP
- 3.4
- 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
- 448
Experimental & physicochemical properties
Solubility0.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…