Basic information
- Standard SMILES
CC1CCCN(Cc2cccc(OCCCCNc3nnc(N)s3)c2)C1- InChIKey
GXAVYBMFGGFLIG-UHFFFAOYSA-N- Molecular formula
- C19H29N5OS
- Average molar mass
- 375.5 g/mol
Names & identifiers
- Preferred name
- N-[4 [3-((3-Methylpiperidin-1-yl)methyl)phenoxy]butyl]1,3,4-thiadiazole-2,5-diamine
- IUPAC
- 2-N-[4-[3-[(3-methylpiperidin-1-yl)methyl]phenoxy]butyl]-1,3,4-thiadiazole-2,5-diamine
Names & synonyms
SCHEMBL10668565GXAVYBMFGGFLIG-UHFFFAOYSA-NN-[4 [3-((3-Methylpiperidin-1-yl)methyl)phenoxy]butyl]1,3,4-thiadiazole-2,5-diamine
Database identifiers
- PubChem CID
- 20151485
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 402
Related reactions
2 records
Compound notes
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