2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane

C17H27N3O2S — CID 118746964

IUPAC2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESc1csc(CN2CCOCC3(CCN(C4CCOCC4)C3)C2)n1
InChIInChI=1S/C17H27N3O2S/c1-7-21-8-2-15(1)20-5-3-17(13-20)12-19(6-9-22-14-17)11-16-18-4-10-23-16/h4,10,15H,1-3,5-9,11-14H2
InChIKeyZYIWHXAQLKOVSZ-UHFFFAOYSA-N
MW337.49 g/mol
LogP1.85
Rot. Bonds3

About 2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane

2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 118746964) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID118746964
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESc1csc(CN2CCOCC3(CCN(C4CCOCC4)C3)C2)n1
InChIInChI=1S/C17H27N3O2S/c1-7-21-8-2-15(1)20-5-3-17(13-20)12-19(6-9-22-14-17)11-16-18-4-10-23-16/h4,10,15H,1-3,5-9,11-14H2
InChIKeyZYIWHXAQLKOVSZ-UHFFFAOYSA-N
XLogP1.85
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of 2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane (CID 118746964) is 2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for 2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane is c1csc(CN2CCOCC3(CCN(C4CCOCC4)C3)C2)n1.
What is the InChIKey of 2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is ZYIWHXAQLKOVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-7-21-8-2-15(1)20-5-3-17(13-20)12-19(6-9-22-14-17)11-16-18-4-10-23-16/h4,10,15H,1-3,5-9,11-14H2.
What are the key properties of 2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 337.49 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 118746964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).