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

C16H24N2O2S — CID 72896996

IUPAC9-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCCCc1nc(C)c(CN2CC3(CCOC3)CCC2=O)s1
InChIInChI=1S/C16H24N2O2S/c1-3-4-14-17-12(2)13(21-14)9-18-10-16(6-5-15(18)19)7-8-20-11-16/h3-11H2,1-2H3
InChIKeyZNXMBUXQALABAG-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.93
Rot. Bonds4

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

9-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one (PubChem CID 72896996) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 9-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name9-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
PubChem CID72896996
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name9-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCCCc1nc(C)c(CN2CC3(CCOC3)CCC2=O)s1
InChIInChI=1S/C16H24N2O2S/c1-3-4-14-17-12(2)13(21-14)9-18-10-16(6-5-15(18)19)7-8-20-11-16/h3-11H2,1-2H3
InChIKeyZNXMBUXQALABAG-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[(2,4-Dimethyl-1,3-thiazol-5-yl)carbonyl]-2-oxa-7-azaspiro[4.5]decane
CID 72855247
8-[(2-Isopropyl-4-methyl-1,3-thiazol-5-yl)carbonyl]-1-oxa-8-azaspiro[4.5]decane
CID 56879881
1-[3-(4,5-Dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone
CID 72125123
1-[3-(4,5-Dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 72125125
1-[3-(4,5-Dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 72125163
7-({2-[(Methylthio)methyl]-1,3-thiazol-4-yl}methyl)-2-oxa-7-azaspiro[4.5]decan-8-one
CID 72870507
7-[3-(4,5-Dimethyl-1,3-thiazol-2-YL)propyl]-2-oxa-7-azaspiro[4.5]decan-8-one
CID 72903273
1-[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 95777827
1-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 95777828
1-[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[(2S)-oxolan-2-yl]propan-1-one
CID 95777915
1-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[(2S)-oxolan-2-yl]propan-1-one
CID 95777916
1-[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95777917

Frequently Asked Questions

What is the IUPAC name of 9-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The IUPAC name of 9-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one (CID 72896996) is 9-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one.
What is the SMILES notation for 9-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The canonical SMILES for 9-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one is CCCc1nc(C)c(CN2CC3(CCOC3)CCC2=O)s1.
What is the InChIKey of 9-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The InChIKey is ZNXMBUXQALABAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-3-4-14-17-12(2)13(21-14)9-18-10-16(6-5-15(18)19)7-8-20-11-16/h3-11H2,1-2H3.
What are the key properties of 9-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
9-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one has a molecular weight of 308.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one is sourced from PubChem (CID 72896996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).