3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane

C14H22N2O2S — CID 102930090

IUPAC3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane
SMILESCc1nc(COC2COC3(CCNCC3)C2)sc1C
InChIInChI=1S/C14H22N2O2S/c1-10-11(2)19-13(16-10)9-17-12-7-14(18-8-12)3-5-15-6-4-14/h12,15H,3-9H2,1-2H3
InChIKeyJWCWTBXJKBKNTA-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.19
Rot. Bonds3

About 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane

3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 102930090) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane
PubChem CID102930090
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane
SMILESCc1nc(COC2COC3(CCNCC3)C2)sc1C
InChIInChI=1S/C14H22N2O2S/c1-10-11(2)19-13(16-10)9-17-12-7-14(18-8-12)3-5-15-6-4-14/h12,15H,3-9H2,1-2H3
InChIKeyJWCWTBXJKBKNTA-UHFFFAOYSA-N
XLogP2.19
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane
CID 97394988
3-[(4-methoxyphenyl)methoxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930200
3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930602
3-[(6-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930458
3-pent-3-ynoxy-1-oxa-8-azaspiro[4.5]decane
CID 102930141
3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930543
3-[(2,5-dichlorophenyl)methoxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930132
3-(2-methylsulfonylethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 102930216
3-(6-ethoxy-5-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane
CID 102930455
N,N-dimethyl-2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)acetamide
CID 102930339
5,6-dimethyl-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridazine-4-carbonitrile
CID 102930669
3-[(3-bromo-4-fluorophenyl)methoxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930076

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane (CID 102930090) is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane is Cc1nc(COC2COC3(CCNCC3)C2)sc1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is JWCWTBXJKBKNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-11(2)19-13(16-10)9-17-12-7-14(18-8-12)3-5-15-6-4-14/h12,15H,3-9H2,1-2H3.
What are the key properties of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane?
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 282.41 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 102930090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).