Basic information
- Standard SMILES
CC1CCN(Cc2cccc(OCCCNc3nnc(N)s3)c2)C1- InChIKey
XKHJXGWXPIUNNG-UHFFFAOYSA-N- Molecular formula
- C17H25N5OS
- Average molar mass
- 347.5 g/mol
Names & identifiers
- Preferred name
- N-[3-[3-((3-Methylpyrrolidin-1-yl)methyl)phenoxy]propyl]1,3,4-thiadiazole-2,5-diamine
- IUPAC
- 2-N-[3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenoxy]propyl]-1,3,4-thiadiazole-2,5-diamine
Names & synonyms
SCHEMBL10675335XKHJXGWXPIUNNG-UHFFFAOYSA-NN-[3-[3-((3-Methylpyrrolidin-1-yl)methyl)phenoxy]propyl]1,3,4-thiadiazole-2,5-diamine
Database identifiers
- PubChem CID
- 20151479
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 375
Related reactions
2 records
Compound notes
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