6-(1,3-thiazol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol

C11H15NO3S — CID 69485851

IUPAC6-(1,3-thiazol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1CCC2(OCCO2)C(c2nccs2)C1
InChIInChI=1S/C11H15NO3S/c13-8-1-2-11(14-4-5-15-11)9(7-8)10-12-3-6-16-10/h3,6,8-9,13H,1-2,4-5,7H2
InChIKeyWWRFZOGIHQWYCJ-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.51
Rot. Bonds1

About 6-(1,3-thiazol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol

6-(1,3-thiazol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 69485851) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 6-(1,3-thiazol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name6-(1,3-thiazol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID69485851
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name6-(1,3-thiazol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1CCC2(OCCO2)C(c2nccs2)C1
InChIInChI=1S/C11H15NO3S/c13-8-1-2-11(14-4-5-15-11)9(7-8)10-12-3-6-16-10/h3,6,8-9,13H,1-2,4-5,7H2
InChIKeyWWRFZOGIHQWYCJ-UHFFFAOYSA-N
XLogP1.51
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-thiazol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 6-(1,3-thiazol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol (CID 69485851) is 6-(1,3-thiazol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 6-(1,3-thiazol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 6-(1,3-thiazol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol is OC1CCC2(OCCO2)C(c2nccs2)C1.
What is the InChIKey of 6-(1,3-thiazol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is WWRFZOGIHQWYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c13-8-1-2-11(14-4-5-15-11)9(7-8)10-12-3-6-16-10/h3,6,8-9,13H,1-2,4-5,7H2.
What are the key properties of 6-(1,3-thiazol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
6-(1,3-thiazol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 241.31 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-thiazol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 69485851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).