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

C14H21N3OS — CID 58792124

IUPAC5-(3,5-dimethylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole
SMILESCCC#CCOc1nsc(N2CC(C)CC(C)C2)n1
InChIInChI=1S/C14H21N3OS/c1-4-5-6-7-18-13-15-14(19-16-13)17-9-11(2)8-12(3)10-17/h11-12H,4,7-10H2,1-3H3
InChIKeyDGFSVRKAUGIUDN-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.81
Rot. Bonds3

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

5-(3,5-dimethylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole (PubChem CID 58792124) 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-2-ynoxy-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole
PubChem CID58792124
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name5-(3,5-dimethylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole
SMILESCCC#CCOc1nsc(N2CC(C)CC(C)C2)n1
InChIInChI=1S/C14H21N3OS/c1-4-5-6-7-18-13-15-14(19-16-13)17-9-11(2)8-12(3)10-17/h11-12H,4,7-10H2,1-3H3
InChIKeyDGFSVRKAUGIUDN-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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Related Compounds

3-But-2-ynoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 58792118
3-Ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 162603508
3-Pent-2-ynoxy-5-piperidin-1-yl-1,2,4-thiadiazole
CID 11161067
5-(3-Methylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole
CID 58792100
5-(3,5-Dimethylpiperidin-1-yl)-3-methylsulfanyloxy-1,2,4-thiadiazole
CID 58792103
3-But-2-ynoxy-5-piperidin-1-yl-1,2,4-thiadiazole
CID 58792105
3-But-2-ynoxy-5-(2-methylpiperidin-1-yl)-1,2,4-thiadiazole
CID 58792106
5-(2-Methylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole
CID 58792107
3-But-2-ynoxy-5-(3,5-diethylpiperidin-1-yl)-1,2,4-thiadiazole
CID 58792109
3-(2-Propynyloxy)-5-(3,5-dimethylpiperidino)-1,2,4-thiadiazole
CID 58792115
5-(4-Methylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole
CID 58792116
3-But-2-ynoxy-5-(3-methylpiperidin-1-yl)-1,2,4-thiadiazole
CID 58792119

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole?
The IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole (CID 58792124) is 5-(3,5-dimethylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3,5-dimethylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole?
The canonical SMILES for 5-(3,5-dimethylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole is CCC#CCOc1nsc(N2CC(C)CC(C)C2)n1.
What is the InChIKey of 5-(3,5-dimethylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole?
The InChIKey is DGFSVRKAUGIUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-4-5-6-7-18-13-15-14(19-16-13)17-9-11(2)8-12(3)10-17/h11-12H,4,7-10H2,1-3H3.
What are the key properties of 5-(3,5-dimethylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole?
5-(3,5-dimethylpiperidin-1-yl)-3-pent-2-ynoxy-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-2-ynoxy-1,2,4-thiadiazole is sourced from PubChem (CID 58792124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).