Basic information
- Standard SMILES
CN(C)Cc1cccc(OCCCNc2nnc(N)s2)c1- InChIKey
ACCAOSFAMXASHA-UHFFFAOYSA-N- Molecular formula
- C14H21N5OS
- Average molar mass
- 307.42 g/mol
Names & identifiers
- Preferred name
- N-[3-[3-[(Dimethylamino)methyl]phenoxy]propyl]-1,3,4-thiadiazole-2,5-diamin
- IUPAC
- 2-N-[3-[3-[(dimethylamino)methyl]phenoxy]propyl]-1,3,4-thiadiazole-2,5-diamine
Names & synonyms
SCHEMBL10671666ACCAOSFAMXASHA-UHFFFAOYSA-NN-[3-[3-[(Dimethylamino)methyl]phenoxy]propyl]-1,3,4-thiadiazole-2,5-diamin
Database identifiers
- PubChem CID
- 20151482
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 295
Related reactions
2 records
Compound notes
Loading…