3-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-ol

C11H16N2O2S — CID 16670582

IUPAC3-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-ol
SMILESOC1(c2nccs2)COC2(CCNCC2)C1
InChIInChI=1S/C11H16N2O2S/c14-11(9-13-5-6-16-9)7-10(15-8-11)1-3-12-4-2-10/h5-6,12,14H,1-4,7-8H2
InChIKeyWKCSBSVVPZUHHV-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.87
Rot. Bonds1

About 3-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-ol

3-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-ol (PubChem CID 16670582) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-ol.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-ol
PubChem CID16670582
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name3-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-ol
SMILESOC1(c2nccs2)COC2(CCNCC2)C1
InChIInChI=1S/C11H16N2O2S/c14-11(9-13-5-6-16-9)7-10(15-8-11)1-3-12-4-2-10/h5-6,12,14H,1-4,7-8H2
InChIKeyWKCSBSVVPZUHHV-UHFFFAOYSA-N
XLogP0.87
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-ol?
The IUPAC name of 3-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-ol (CID 16670582) is 3-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-ol.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-ol?
The canonical SMILES for 3-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-ol is OC1(c2nccs2)COC2(CCNCC2)C1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-ol?
The InChIKey is WKCSBSVVPZUHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c14-11(9-13-5-6-16-9)7-10(15-8-11)1-3-12-4-2-10/h5-6,12,14H,1-4,7-8H2.
What are the key properties of 3-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-ol?
3-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-ol has a molecular weight of 240.33 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-ol is sourced from PubChem (CID 16670582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).