3-(1-Methyl-2-butynyloxy)-5-(3,5-dimethylpiperidino)-1,2,4-thiadiazole

HCID 58792129
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Basic information

Standard SMILES
CC#CC(C)Oc1nsc(N2CC(C)CC(C)C2)n1
InChIKey
KXNVIOZLRWMIEU-UHFFFAOYSA-N
Molecular formula
C14H21N3OS
Average molar mass
279.4 g/mol
Monoisotopic mass
279.14053348

Names & identifiers

Preferred name
3-(1-Methyl-2-butynyloxy)-5-(3,5-dimethylpiperidino)-1,2,4-thiadiazole
IUPAC
5-(3,5-dimethylpiperidin-1-yl)-3-pent-3-yn-2-yloxy-1,2,4-thiadiazole

Names & synonyms

SCHEMBL4859615KXNVIOZLRWMIEU-UHFFFAOYSA-N3-(1-methyl-2-butynyloxy)-5-(3,5-dimethylpiperidino)-1,2,4-thiadiazole

Database identifiers

PubChem CID
58792129

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
66.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
19

Related reactions

2 records
New reaction record

Compound notes

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