5-(3,5-dimethylpiperidin-1-yl)-3-pent-3-yn-2-yloxy-1,2,4-thiadiazole

C14H21N3OS — CID 58792129

IUPAC5-(3,5-dimethylpiperidin-1-yl)-3-pent-3-yn-2-yloxy-1,2,4-thiadiazole
SMILESCC#CC(C)Oc1nsc(N2CC(C)CC(C)C2)n1
InChIInChI=1S/C14H21N3OS/c1-5-6-12(4)18-13-15-14(19-16-13)17-8-10(2)7-11(3)9-17/h10-12H,7-9H2,1-4H3
InChIKeyKXNVIOZLRWMIEU-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.81
Rot. Bonds3

About 5-(3,5-dimethylpiperidin-1-yl)-3-pent-3-yn-2-yloxy-1,2,4-thiadiazole

5-(3,5-dimethylpiperidin-1-yl)-3-pent-3-yn-2-yloxy-1,2,4-thiadiazole (PubChem CID 58792129) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperidin-1-yl)-3-pent-3-yn-2-yloxy-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidin-1-yl)-3-pent-3-yn-2-yloxy-1,2,4-thiadiazole
PubChem CID58792129
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name5-(3,5-dimethylpiperidin-1-yl)-3-pent-3-yn-2-yloxy-1,2,4-thiadiazole
SMILESCC#CC(C)Oc1nsc(N2CC(C)CC(C)C2)n1
InChIInChI=1S/C14H21N3OS/c1-5-6-12(4)18-13-15-14(19-16-13)17-8-10(2)7-11(3)9-17/h10-12H,7-9H2,1-4H3
InChIKeyKXNVIOZLRWMIEU-UHFFFAOYSA-N
XLogP2.81
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)-3-pent-3-yn-2-yloxy-1,2,4-thiadiazole?
The IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)-3-pent-3-yn-2-yloxy-1,2,4-thiadiazole (CID 58792129) is 5-(3,5-dimethylpiperidin-1-yl)-3-pent-3-yn-2-yloxy-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3,5-dimethylpiperidin-1-yl)-3-pent-3-yn-2-yloxy-1,2,4-thiadiazole?
The canonical SMILES for 5-(3,5-dimethylpiperidin-1-yl)-3-pent-3-yn-2-yloxy-1,2,4-thiadiazole is CC#CC(C)Oc1nsc(N2CC(C)CC(C)C2)n1.
What is the InChIKey of 5-(3,5-dimethylpiperidin-1-yl)-3-pent-3-yn-2-yloxy-1,2,4-thiadiazole?
The InChIKey is KXNVIOZLRWMIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-5-6-12(4)18-13-15-14(19-16-13)17-8-10(2)7-11(3)9-17/h10-12H,7-9H2,1-4H3.
What are the key properties of 5-(3,5-dimethylpiperidin-1-yl)-3-pent-3-yn-2-yloxy-1,2,4-thiadiazole?
5-(3,5-dimethylpiperidin-1-yl)-3-pent-3-yn-2-yloxy-1,2,4-thiadiazole has a molecular weight of 279.41 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperidin-1-yl)-3-pent-3-yn-2-yloxy-1,2,4-thiadiazole is sourced from PubChem (CID 58792129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).