3-(ethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane

C15H24N2O2S — CID 131643460

IUPAC3-(ethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
SMILESCCOCC1CC2(CCN(Cc3nccs3)CC2)CO1
InChIInChI=1S/C15H24N2O2S/c1-2-18-11-13-9-15(12-19-13)3-6-17(7-4-15)10-14-16-5-8-20-14/h5,8,13H,2-4,6-7,9-12H2,1H3
InChIKeyKUIYBEUNOVAOIA-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.55
Rot. Bonds5

About 3-(ethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane

3-(ethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane (PubChem CID 131643460) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-(ethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(ethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
PubChem CID131643460
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-(ethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
SMILESCCOCC1CC2(CCN(Cc3nccs3)CC2)CO1
InChIInChI=1S/C15H24N2O2S/c1-2-18-11-13-9-15(12-19-13)3-6-17(7-4-15)10-14-16-5-8-20-14/h5,8,13H,2-4,6-7,9-12H2,1H3
InChIKeyKUIYBEUNOVAOIA-UHFFFAOYSA-N
XLogP2.55
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-(ethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane (CID 131643460) is 3-(ethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-(ethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-(ethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane is CCOCC1CC2(CCN(Cc3nccs3)CC2)CO1.
What is the InChIKey of 3-(ethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is KUIYBEUNOVAOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-18-11-13-9-15(12-19-13)3-6-17(7-4-15)10-14-16-5-8-20-14/h5,8,13H,2-4,6-7,9-12H2,1H3.
What are the key properties of 3-(ethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
3-(ethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 296.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 131643460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).