Basic information
- Standard SMILES
CC(CNc1nnc(N)s1)COc1cccc(CN2CCCCC2)c1- InChIKey
REAQXBLBUOCLAU-UHFFFAOYSA-N- Molecular formula
- C18H27N5OS
- Average molar mass
- 361.5 g/mol
Names & identifiers
- Preferred name
- (+/-)-N-[2-methyl-3[3-(1-piperidinylmethyl)phenoxy]propyl]-1,3,4-thiadiazole-2,5-diamine
- IUPAC
- 2-N-[2-methyl-3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,3,4-thiadiazole-2,5-diamine
Names & synonyms
SCHEMBL10677183REAQXBLBUOCLAU-UHFFFAOYSA-N(+/-)-N-[2-methyl-3[3-(1-piperidinylmethyl)phenoxy]propyl]-1,3,4-thiadiazole-2,5-diamine
Database identifiers
- PubChem CID
- 20151492
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 382
Related reactions
2 records
Compound notes
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