Basic information
- Standard SMILES
Nc1nnc(NCCCOc2cccc(CN3CCCCCC3)c2)s1- InChIKey
MCXLINHATTWONY-UHFFFAOYSA-N- Molecular formula
- C18H27N5OS
- Average molar mass
- 361.5 g/mol
Names & identifiers
- Preferred name
- N-[3-[3-[(Hexahydro-1H-azepin-1-yl)methyl]phenoxy]propyl]-1,3,4-thiadiazole-2,5-diamine
- IUPAC
- 2-N-[3-[3-(azepan-1-ylmethyl)phenoxy]propyl]-1,3,4-thiadiazole-2,5-diamine
Names & synonyms
SCHEMBL10672315MCXLINHATTWONY-UHFFFAOYSA-NN-[3-[3-[(Hexahydro-1H-azepin-1-yl)methyl]phenoxy]propyl]-1,3,4-thiadiazole-2,5-diamine
Database identifiers
- PubChem CID
- 20142399
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 367
Related reactions
2 records
Compound notes
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