3-(oxolan-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane

C16H25N3O2S — CID 131641630

IUPAC3-(oxolan-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane
SMILESc1csc(N2CCOCC3(CCN(C4CCOC4)CC3)C2)n1
InChIInChI=1S/C16H25N3O2S/c1-8-20-11-14(1)18-5-2-16(3-6-18)12-19(7-9-21-13-16)15-17-4-10-22-15/h4,10,14H,1-3,5-9,11-13H2
InChIKeyWLMDXXCSSBWCOR-UHFFFAOYSA-N
MW323.46 g/mol
LogP1.85
Rot. Bonds2

About 3-(oxolan-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane

3-(oxolan-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane (PubChem CID 131641630) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name3-(oxolan-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane
PubChem CID131641630
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name3-(oxolan-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane
SMILESc1csc(N2CCOCC3(CCN(C4CCOC4)CC3)C2)n1
InChIInChI=1S/C16H25N3O2S/c1-8-20-11-14(1)18-5-2-16(3-6-18)12-19(7-9-21-13-16)15-17-4-10-22-15/h4,10,14H,1-3,5-9,11-13H2
InChIKeyWLMDXXCSSBWCOR-UHFFFAOYSA-N
XLogP1.85
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane?
The IUPAC name of 3-(oxolan-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane (CID 131641630) is 3-(oxolan-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 3-(oxolan-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 3-(oxolan-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane is c1csc(N2CCOCC3(CCN(C4CCOC4)CC3)C2)n1.
What is the InChIKey of 3-(oxolan-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane?
The InChIKey is WLMDXXCSSBWCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-8-20-11-14(1)18-5-2-16(3-6-18)12-19(7-9-21-13-16)15-17-4-10-22-15/h4,10,14H,1-3,5-9,11-13H2.
What are the key properties of 3-(oxolan-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane?
3-(oxolan-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane has a molecular weight of 323.46 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 131641630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).