5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-amine
Basic information
- CAS
6039-83-4- Standard SMILES
Nc1nnc(/C=C/c2ccccc2Cl)s1- InChIKey
YPGMOJZDPBVHJE-AATRIKPKSA-N- Molecular formula
- C10H8ClN3S
- Average molar mass
- 237.71 g/mol
- Monoisotopic mass
- 237.0127461
Names & identifiers
- Preferred name
- 5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-amine
- IUPAC
- 5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-amine
Names & synonyms
5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-amine6039-83-4MLS000780243ZINC44994285-[2-(2-chlorophenyl)vinyl]-1,3,4-thiadiazol-2-amineSMR0004204265-[(E)-2-(2-Chloro-phenyl)-vinyl]-[1,3,4]thiadiazol-2-ylamineZINC04499428Nc1nnc(s1)C=Cc1ccccc1ClCHEMBL1556516BDBM96124cid_5346752
Show more names
DTXSID10417367HMS2806M11SMSF0011911MFCD01590337STK066807AKOS005388727CB13261(E)5(2chlorostyryl)134thiadiazol2amine
Database identifiers
- CAS
6039-83-4- PubChem CID
- 5346752
- DTXSID
DTXSID10417367- ChEMBL
CHEMBL1556516
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Experimental & physicochemical properties
Solubility2.7 [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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