9-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one

C15H22N2O2S — CID 56880432

IUPAC9-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
SMILESCc1nc(CN2CCC3(CCCO3)CCC2=O)sc1C
InChIInChI=1S/C15H22N2O2S/c1-11-12(2)20-13(16-11)10-17-8-7-15(5-3-9-19-15)6-4-14(17)18/h3-10H2,1-2H3
InChIKeyVPEKGGGNEIRWTO-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.82
Rot. Bonds2

About 9-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one

9-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one (PubChem CID 56880432) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 9-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one.

Molecular Properties

Compound Name9-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
PubChem CID56880432
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name9-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
SMILESCc1nc(CN2CCC3(CCCO3)CCC2=O)sc1C
InChIInChI=1S/C15H22N2O2S/c1-11-12(2)20-13(16-11)10-17-8-7-15(5-3-9-19-15)6-4-14(17)18/h3-10H2,1-2H3
InChIKeyVPEKGGGNEIRWTO-UHFFFAOYSA-N
XLogP2.82
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The IUPAC name of 9-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one (CID 56880432) is 9-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one.
What is the SMILES notation for 9-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The canonical SMILES for 9-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one is Cc1nc(CN2CCC3(CCCO3)CCC2=O)sc1C.
What is the InChIKey of 9-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The InChIKey is VPEKGGGNEIRWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11-12(2)20-13(16-11)10-17-8-7-15(5-3-9-19-15)6-4-14(17)18/h3-10H2,1-2H3.
What are the key properties of 9-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
9-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one has a molecular weight of 294.42 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one is sourced from PubChem (CID 56880432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).