1-(2-methoxyethyl)-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane

C14H23N3O2S — CID 97396284

IUPAC1-(2-methoxyethyl)-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCOCCN1CCOCC12CCN(c1nccs1)CC2
InChIInChI=1S/C14H23N3O2S/c1-18-9-7-17-8-10-19-12-14(17)2-5-16(6-3-14)13-15-4-11-20-13/h4,11H,2-3,5-10,12H2,1H3
InChIKeyXMONIIXOXCVCCC-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.46
Rot. Bonds4

About 1-(2-methoxyethyl)-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane

1-(2-methoxyethyl)-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane (PubChem CID 97396284) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-(2-methoxyethyl)-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane
PubChem CID97396284
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-(2-methoxyethyl)-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCOCCN1CCOCC12CCN(c1nccs1)CC2
InChIInChI=1S/C14H23N3O2S/c1-18-9-7-17-8-10-19-12-14(17)2-5-16(6-3-14)13-15-4-11-20-13/h4,11H,2-3,5-10,12H2,1H3
InChIKeyXMONIIXOXCVCCC-UHFFFAOYSA-N
XLogP1.46
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-Ethyl-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396257
1-Methyl-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396369
N-(2-morpholin-4-ylethyl)-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 91662511
1-Ethyl-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 118744726
1-(2-Methoxyethyl)-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 118744727
Ethyl 1-(thiazol-2-yl)piperidine-4-carboxylate
CID 60658779
(3S)-3-(methoxymethyl)-4-(1,3-thiazol-2-yl)morpholine
CID 71047355
Tert-butyl 4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 134394752
4-(1,3-Thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 134394885
3-(1,3-Thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]
CID 153944422
5-(Piperidin-1-ylmethyl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-5,6-dihydro-1,4,2-dioxazine
CID 168178814
3-Cyclopropyl-4-(1,3-thiazol-2-yl)morpholine
CID 174830001

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 1-(2-methoxyethyl)-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane (CID 97396284) is 1-(2-methoxyethyl)-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-(2-methoxyethyl)-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 1-(2-methoxyethyl)-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane is COCCN1CCOCC12CCN(c1nccs1)CC2.
What is the InChIKey of 1-(2-methoxyethyl)-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The InChIKey is XMONIIXOXCVCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-18-9-7-17-8-10-19-12-14(17)2-5-16(6-3-14)13-15-4-11-20-13/h4,11H,2-3,5-10,12H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane?
1-(2-methoxyethyl)-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane has a molecular weight of 297.42 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97396284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).