N-(2-Chlorophenyl)-5-(2-thienyl)-6H-1,3,4-thiadiazin-2-amine
Basic information
- CAS
737813-00-2- Standard SMILES
Clc1ccccc1N=C1NN=C(c2cccs2)CS1- InChIKey
PZQBPQONYBQDLP-UHFFFAOYSA-N- Molecular formula
- C13H10ClN3S2
- Average molar mass
- 307.8 g/mol
- Monoisotopic mass
- 307.0004674
Names & identifiers
- Preferred name
- N-(2-Chlorophenyl)-5-(2-thienyl)-6H-1,3,4-thiadiazin-2-amine
- IUPAC
- N-(2-chlorophenyl)-5-thiophen-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine
Names & synonyms
MLS000516289CHEMBL1392608DTXSID801185522HMS2705I10SMR000372957Z48960122N-(2-Chlorophenyl)-5-(2-thienyl)-6H-1,3,4-thiadiazin-2-amineN-(2-Chlorophenyl)-5-(thiophen-2-yl)-6H-1,3,4-thiadiazin-2-amine737813-00-2
Database identifiers
- CAS
737813-00-2- PubChem CID
- 135413040
- DTXSID
DTXSID801185522- ChEMBL
CHEMBL1392608
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 386
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Compound notes
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