9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one

C13H18N2O2S — CID 56886691

IUPAC9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one
SMILESO=C1CCC2(CCCO2)CCN1Cc1nccs1
InChIInChI=1S/C13H18N2O2S/c16-12-2-4-13(3-1-8-17-13)5-7-15(12)10-11-14-6-9-18-11/h6,9H,1-5,7-8,10H2
InChIKeyQTEPGWYOKAPEFF-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.20
Rot. Bonds2

About 9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one

9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one (PubChem CID 56886691) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one.

Molecular Properties

Compound Name9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one
PubChem CID56886691
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one
SMILESO=C1CCC2(CCCO2)CCN1Cc1nccs1
InChIInChI=1S/C13H18N2O2S/c16-12-2-4-13(3-1-8-17-13)5-7-15(12)10-11-14-6-9-18-11/h6,9H,1-5,7-8,10H2
InChIKeyQTEPGWYOKAPEFF-UHFFFAOYSA-N
XLogP2.20
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-3-[(2R,5S)-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-2-yl]propanamide
CID 60160515
N,N-diethyl-3-[(2S,5S)-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-2-yl]propanamide
CID 60160525
(5S)-9-(1,3-thiazol-4-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95716389
Oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 23856455
8-(1,3-Thiazol-4-ylmethyl)-1-oxa-8-azaspiro[4.6]undecan-9-one
CID 56902628
3-(oxolan-2-yl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]propanamide
CID 72012124
3-(Oxolan-2-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 72145806
(5R)-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95710697
(5S)-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95710698
(5R)-9-(1,3-thiazol-4-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95716388
3-[(2S)-oxolan-2-yl]-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95761190
3-[(2S)-oxolan-2-yl]-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95761191

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one?
The IUPAC name of 9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one (CID 56886691) is 9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one.
What is the SMILES notation for 9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one?
The canonical SMILES for 9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one is O=C1CCC2(CCCO2)CCN1Cc1nccs1.
What is the InChIKey of 9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one?
The InChIKey is QTEPGWYOKAPEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c16-12-2-4-13(3-1-8-17-13)5-7-15(12)10-11-14-6-9-18-11/h6,9H,1-5,7-8,10H2.
What are the key properties of 9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one?
9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one has a molecular weight of 266.37 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one is sourced from PubChem (CID 56886691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).