9-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one

C16H24N2O2S — CID 72903273

IUPAC9-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCc1nc(CCCN2CC3(CCOC3)CCC2=O)sc1C
InChIInChI=1S/C16H24N2O2S/c1-12-13(2)21-14(17-12)4-3-8-18-10-16(6-5-15(18)19)7-9-20-11-16/h3-11H2,1-2H3
InChIKeyUCEWIOALOLAXNL-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.72
Rot. Bonds4

About 9-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one

9-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one (PubChem CID 72903273) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 9-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name9-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one
PubChem CID72903273
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name9-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCc1nc(CCCN2CC3(CCOC3)CCC2=O)sc1C
InChIInChI=1S/C16H24N2O2S/c1-12-13(2)21-14(17-12)4-3-8-18-10-16(6-5-15(18)19)7-9-20-11-16/h3-11H2,1-2H3
InChIKeyUCEWIOALOLAXNL-UHFFFAOYSA-N
XLogP2.72
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The IUPAC name of 9-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one (CID 72903273) is 9-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one.
What is the SMILES notation for 9-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The canonical SMILES for 9-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one is Cc1nc(CCCN2CC3(CCOC3)CCC2=O)sc1C.
What is the InChIKey of 9-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The InChIKey is UCEWIOALOLAXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12-13(2)21-14(17-12)4-3-8-18-10-16(6-5-15(18)19)7-9-20-11-16/h3-11H2,1-2H3.
What are the key properties of 9-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
9-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one has a molecular weight of 308.45 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one is sourced from PubChem (CID 72903273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).