2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane

C15H18N4O2S — CID 131653298

IUPAC2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1nnc(N2CC3(CC(Oc4cccnc4)CCO3)C2)s1
InChIInChI=1S/C15H18N4O2S/c1-11-17-18-14(22-11)19-9-15(10-19)7-12(4-6-20-15)21-13-3-2-5-16-8-13/h2-3,5,8,12H,4,6-7,9-10H2,1H3
InChIKeyWTSVMYKLIVBEOU-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.06
Rot. Bonds3

About 2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane

2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 131653298) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane
PubChem CID131653298
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1nnc(N2CC3(CC(Oc4cccnc4)CCO3)C2)s1
InChIInChI=1S/C15H18N4O2S/c1-11-17-18-14(22-11)19-9-15(10-19)7-12(4-6-20-15)21-13-3-2-5-16-8-13/h2-3,5,8,12H,4,6-7,9-10H2,1H3
InChIKeyWTSVMYKLIVBEOU-UHFFFAOYSA-N
XLogP2.06
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(8S)-2-(6-methylpyridazin-3-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124797999
(8S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124806524
(8S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124811935
(8R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124810926
[(8R)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone
CID 124791257
(2,5-dimethylfuran-3-yl)-(8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131660860
1,3-oxazol-4-yl-(8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131648731
(8S)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124809470
(8R)-8-pyridin-3-yloxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124827142
8-[(5-methyl-3-pyridinyl)methoxy]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155851885
(8R)-8-pyrazin-2-yloxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
CID 124911109
(8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane
CID 124893291

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane (CID 131653298) is 2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane is Cc1nnc(N2CC3(CC(Oc4cccnc4)CCO3)C2)s1.
What is the InChIKey of 2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is WTSVMYKLIVBEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-11-17-18-14(22-11)19-9-15(10-19)7-12(4-6-20-15)21-13-3-2-5-16-8-13/h2-3,5,8,12H,4,6-7,9-10H2,1H3.
What are the key properties of 2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane?
2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 318.40 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 131653298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).