N-[4-[3-(1-Piperidinylmethyl)phenoxy]butyl]-1,3,4-thiadiazole-2,5-diamine

HCID 20142397
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Basic information

Standard SMILES
Nc1nnc(NCCCCOc2cccc(CN3CCCCC3)c2)s1
InChIKey
QDOUHGUKGNGJGB-UHFFFAOYSA-N
Molecular formula
C18H27N5OS
Average molar mass
361.5 g/mol

Names & identifiers

Preferred name
N-[4-[3-(1-Piperidinylmethyl)phenoxy]butyl]-1,3,4-thiadiazole-2,5-diamine
IUPAC
2-N-[4-[3-(piperidin-1-ylmethyl)phenoxy]butyl]-1,3,4-thiadiazole-2,5-diamine

Names & synonyms

SCHEMBL10676684QDOUHGUKGNGJGB-UHFFFAOYSA-NN-[4-[3-(1-Piperidinylmethyl)phenoxy]butyl]-1,3,4-thiadiazole-2,5-diamine

Database identifiers

PubChem CID
20142397

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
105 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
25

Related reactions

2 records
New reaction record

Compound notes

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