(8S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane

C16H20N4O2S — CID 124811935

IUPAC(8S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESCc1nnc(N2CC3(C2)OCC[C@H]3CCOc2cccnc2)s1
InChIInChI=1S/C16H20N4O2S/c1-12-18-19-15(23-12)20-10-16(11-20)13(5-8-22-16)4-7-21-14-3-2-6-17-9-14/h2-3,6,9,13H,4-5,7-8,10-11H2,1H3/t13-/m1/s1
InChIKeyZDZQOOPISGIBOU-CYBMUJFWSA-N
MW332.43 g/mol
LogP2.31
Rot. Bonds5

About (8S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane

(8S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane (PubChem CID 124811935) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is (8S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(8S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
PubChem CID124811935
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name(8S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESCc1nnc(N2CC3(C2)OCC[C@H]3CCOc2cccnc2)s1
InChIInChI=1S/C16H20N4O2S/c1-12-18-19-15(23-12)20-10-16(11-20)13(5-8-22-16)4-7-21-14-3-2-6-17-9-14/h2-3,6,9,13H,4-5,7-8,10-11H2,1H3/t13-/m1/s1
InChIKeyZDZQOOPISGIBOU-CYBMUJFWSA-N
XLogP2.31
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(8S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124805764
8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octane
CID 131660991
(8R)-2-cyclopropylsulfonyl-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124779502
2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 131653298
2-(pyridin-2-ylmethyl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
CID 131649467
(8R)-2-(pyridin-2-ylmethyl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124814207
(3-methylfuran-2-yl)-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131669328
(2-methylpyrazol-3-yl)-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 133143459
2-[(3aS,6aS)-3a-(pyridin-3-yloxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-5-methyl-1,3,4-thiadiazole
CID 97484997
2-cyclopentyloxy-1-[(8R)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124785982
(5-methyl-3-pyridinyl)-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155862477
(4R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124810202

Frequently Asked Questions

What is the IUPAC name of (8S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of (8S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane (CID 124811935) is (8S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for (8S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for (8S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane is Cc1nnc(N2CC3(C2)OCC[C@H]3CCOc2cccnc2)s1.
What is the InChIKey of (8S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is ZDZQOOPISGIBOU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-12-18-19-15(23-12)20-10-16(11-20)13(5-8-22-16)4-7-21-14-3-2-6-17-9-14/h2-3,6,9,13H,4-5,7-8,10-11H2,1H3/t13-/m1/s1.
What are the key properties of (8S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane?
(8S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 332.43 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 124811935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).