4-[[8-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-thiazole

C16H27N3OS — CID 97493613

IUPAC4-[[8-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCOCCN1CCC2(CCCN2Cc2csc(C)n2)CC1
InChIInChI=1S/C16H27N3OS/c1-14-17-15(13-21-14)12-19-7-3-4-16(19)5-8-18(9-6-16)10-11-20-2/h13H,3-12H2,1-2H3
InChIKeyFCUJQOXFEXUGSD-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.53
Rot. Bonds5

About 4-[[8-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-thiazole

4-[[8-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 97493613) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 4-[[8-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[8-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID97493613
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name4-[[8-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCOCCN1CCC2(CCCN2Cc2csc(C)n2)CC1
InChIInChI=1S/C16H27N3OS/c1-14-17-15(13-21-14)12-19-7-3-4-16(19)5-8-18(9-6-16)10-11-20-2/h13H,3-12H2,1-2H3
InChIKeyFCUJQOXFEXUGSD-UHFFFAOYSA-N
XLogP2.53
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[8-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-thiazole with MolForge

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Related Compounds

4-[(2-Propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 51086508
4-[[4-(Oxolan-2-ylmethyl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
CID 53528717
N-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 53607183
1-[4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 56781129
N-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 72140686
N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 72140697
8-(2-Methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97493850
1-[3-(Methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 118742785
4-[[8-Ethyl-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole
CID 118745719
4-[[8-(Cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole
CID 118745721
4-[[3-(Methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole
CID 118745724
1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 77079650

Frequently Asked Questions

What is the IUPAC name of 4-[[8-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[8-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-thiazole (CID 97493613) is 4-[[8-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[8-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[8-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-thiazole is COCCN1CCC2(CCCN2Cc2csc(C)n2)CC1.
What is the InChIKey of 4-[[8-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is FCUJQOXFEXUGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-14-17-15(13-21-14)12-19-7-3-4-16(19)5-8-18(9-6-16)10-11-20-2/h13H,3-12H2,1-2H3.
What are the key properties of 4-[[8-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-thiazole?
4-[[8-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 309.48 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 97493613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).