3-Amino-4-[3-(4-piperidinomethyl-2-pyridyloxy)propylamino]-1,2,5-thiadiazole
Basic information
- Standard SMILES
Nc1nsnc1NCCCOc1cc(CN2CCCCC2)ccn1- InChIKey
FTQNYNLEKXCHPJ-UHFFFAOYSA-N- Molecular formula
- C16H24N6OS
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.17323058
Names & identifiers
- Preferred name
- 3-Amino-4-[3-(4-piperidinomethyl-2-pyridyloxy)propylamino]-1,2,5-thiadiazole
- IUPAC
- 3-N-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-1,2,5-thiadiazole-3,4-diamine
Names & synonyms
SCHEMBL10855117FTQNYNLEKXCHPJ-UHFFFAOYSA-N3-Amino-4-[3-(4-piperidinomethyl-2-pyridyloxy)propylamino]-1,2,5-thiadiazole
Database identifiers
- PubChem CID
- 13313699
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 357
Related reactions
8 records
Compound notes
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