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

C18H24N4OS — CID 118740917

IUPAC2-(pyridin-3-ylmethyl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESc1cncc(CN2CCCC3(COCCN(c4nccs4)C3)C2)c1
InChIInChI=1S/C18H24N4OS/c1-3-16(11-19-5-1)12-21-7-2-4-18(13-21)14-22(8-9-23-15-18)17-20-6-10-24-17/h1,3,5-6,10-11H,2,4,7-9,12-15H2
InChIKeyDFBFNUDYBGWTEC-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.66
Rot. Bonds3

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

2-(pyridin-3-ylmethyl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 118740917) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethyl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name2-(pyridin-3-ylmethyl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID118740917
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name2-(pyridin-3-ylmethyl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESc1cncc(CN2CCCC3(COCCN(c4nccs4)C3)C2)c1
InChIInChI=1S/C18H24N4OS/c1-3-16(11-19-5-1)12-21-7-2-4-18(13-21)14-22(8-9-23-15-18)17-20-6-10-24-17/h1,3,5-6,10-11H,2,4,7-9,12-15H2
InChIKeyDFBFNUDYBGWTEC-UHFFFAOYSA-N
XLogP2.66
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethyl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of 2-(pyridin-3-ylmethyl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 118740917) is 2-(pyridin-3-ylmethyl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 2-(pyridin-3-ylmethyl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 2-(pyridin-3-ylmethyl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane is c1cncc(CN2CCCC3(COCCN(c4nccs4)C3)C2)c1.
What is the InChIKey of 2-(pyridin-3-ylmethyl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is DFBFNUDYBGWTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-3-16(11-19-5-1)12-21-7-2-4-18(13-21)14-22(8-9-23-15-18)17-20-6-10-24-17/h1,3,5-6,10-11H,2,4,7-9,12-15H2.
What are the key properties of 2-(pyridin-3-ylmethyl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
2-(pyridin-3-ylmethyl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 344.48 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethyl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 118740917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).