Basic information
- Standard SMILES
Fc1ccc(Nc2nnns2)cc1- InChIKey
SVJUYKBOHMOAJO-UHFFFAOYSA-N- Molecular formula
- C7H5FN4S
- Average molar mass
- 196.21 g/mol
- Monoisotopic mass
- 196.02189538
Names & identifiers
- Preferred name
- N-(4-fluorophenyl)-1,2,3,4-thiatriazol-5-amine
- IUPAC
- N-(4-fluorophenyl)thiatriazol-5-amine
Names & synonyms
N-(4-fluorophenyl)-1,2,3,4-thiatriazol-5-amine1544-80-5N-(4-fluorophenyl)thiatriazol-5-amineMaybridge3_001620MLS000332332CHEMBL1499368DTXSID201327158HMS1435J14HMS2797A08CCG-25394STK795114AKOS000347955
Show more names
IDI1_013007SMR000434949ST093849(4-fluorophenyl)-1,2,3,4-thiatriazol-5-ylamineA1-03723(4-Fluoro-phenyl)-[1,2,3,4]thiatriazol-5-yl-amineN-(4-FLUOROPHENYL)-N-(1,2,3,4-THIATRIAZOL-5-YL)AMINE
Database identifiers
- CAS
1544-80-5- PubChem CID
- 718655
- DTXSID
DTXSID201327158- ChEMBL
CHEMBL1499368
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
Experimental & physicochemical properties
Solubility16.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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