6-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-2-oxa-6-azaspiro[3.3]heptane

C15H22N4O2S — CID 178142899

IUPAC6-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-2-oxa-6-azaspiro[3.3]heptane
SMILESCN1CCC=C(c2nsnc2OCCN2CC3(COC3)C2)C1
InChIInChI=1S/C15H22N4O2S/c1-18-4-2-3-12(7-18)13-14(17-22-16-13)21-6-5-19-8-15(9-19)10-20-11-15/h3H,2,4-11H2,1H3
InChIKeyXOKYMHURMCKWSQ-UHFFFAOYSA-N
MW322.43 g/mol
LogP0.97
Rot. Bonds5

About 6-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-2-oxa-6-azaspiro[3.3]heptane

6-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 178142899) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 6-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-2-oxa-6-azaspiro[3.3]heptane
PubChem CID178142899
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name6-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-2-oxa-6-azaspiro[3.3]heptane
SMILESCN1CCC=C(c2nsnc2OCCN2CC3(COC3)C2)C1
InChIInChI=1S/C15H22N4O2S/c1-18-4-2-3-12(7-18)13-14(17-22-16-13)21-6-5-19-8-15(9-19)10-20-11-15/h3H,2,4-11H2,1H3
InChIKeyXOKYMHURMCKWSQ-UHFFFAOYSA-N
XLogP0.97
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-2-oxa-6-azaspiro[3.3]heptane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-2-oxa-6-azaspiro[3.3]heptane (CID 178142899) is 6-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-2-oxa-6-azaspiro[3.3]heptane is CN1CCC=C(c2nsnc2OCCN2CC3(COC3)C2)C1.
What is the InChIKey of 6-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is XOKYMHURMCKWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-18-4-2-3-12(7-18)13-14(17-22-16-13)21-6-5-19-8-15(9-19)10-20-11-15/h3H,2,4-11H2,1H3.
What are the key properties of 6-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-2-oxa-6-azaspiro[3.3]heptane?
6-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 322.43 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 178142899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).