5-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane

C15H24N2O2S — CID 118744431

IUPAC5-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane
SMILESCOCC1COCCC12CCN(Cc1nccs1)CC2
InChIInChI=1S/C15H24N2O2S/c1-18-11-13-12-19-8-4-15(13)2-6-17(7-3-15)10-14-16-5-9-20-14/h5,9,13H,2-4,6-8,10-12H2,1H3
InChIKeyXMLWOCNOCYRAIZ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.41
Rot. Bonds4

About 5-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane

5-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane (PubChem CID 118744431) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 5-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name5-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane
PubChem CID118744431
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name5-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane
SMILESCOCC1COCCC12CCN(Cc1nccs1)CC2
InChIInChI=1S/C15H24N2O2S/c1-18-11-13-12-19-8-4-15(13)2-6-17(7-3-15)10-14-16-5-9-20-14/h5,9,13H,2-4,6-8,10-12H2,1H3
InChIKeyXMLWOCNOCYRAIZ-UHFFFAOYSA-N
XLogP2.41
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-Propyl-1-(1,3-thiazol-2-ylmethyl)-3-piperidinyl]methanol
CID 72878293
[3-(3-Methoxypropyl)-1-(1,3-thiazol-2-ylmethyl)-3-piperidinyl]methanol
CID 72938969
2-[[2-(Oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
CID 97370018
5-(Cyclopropylmethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 118744437
5-(Methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 118744430
5-(Cyclopropylmethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 118744436
3-(Ethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131643460
3-(Methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131660546
2-(1,3-Thiazol-2-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane
CID 74232931
N-methyl-1-(oxan-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 75384086
[(3S)-3-propyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol
CID 97127437
[(3R)-3-propyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol
CID 97127438

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 5-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane (CID 118744431) is 5-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 5-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 5-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane is COCC1COCCC12CCN(Cc1nccs1)CC2.
What is the InChIKey of 5-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is XMLWOCNOCYRAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-18-11-13-12-19-8-4-15(13)2-6-17(7-3-15)10-14-16-5-9-20-14/h5,9,13H,2-4,6-8,10-12H2,1H3.
What are the key properties of 5-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane?
5-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane has a molecular weight of 296.44 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 118744431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).