1-(1-adamantyl)-N,N'-bis(1,3-thiazol-2-yl)methanediamine
Basic information
- CAS
70218-61-0- Standard SMILES
c1csc(NC(Nc2nccs2)C23CC4CC(CC(C4)C2)C3)n1- InChIKey
RWBGCSDECSFGJG-UHFFFAOYSA-N- Molecular formula
- C17H22N4S2
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.12858907
Names & identifiers
- Preferred name
- 1-(1-adamantyl)-N,N'-bis(1,3-thiazol-2-yl)methanediamine
- IUPAC
- 1-(1-adamantyl)-N,N'-bis(1,3-thiazol-2-yl)methanediamine
Names & synonyms
70218-61-01-(1-adamantyl)-N,N'-bis(1,3-thiazol-2-yl)methanediamineNSC322029DTXSID20317905NSC-3220291-(ADAMANTAN-1-YL)-N,N'-BIS(1,3-THIAZOL-2-YL)METHANEDIAMINE
Database identifiers
- CAS
70218-61-0- PubChem CID
- 331244
- DTXSID
DTXSID20317905
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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