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

C17H29N3OS — CID 118745719

IUPAC4-[[8-ethyl-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole
SMILESCCN1CCC2(CC1)CC(COC)N(Cc1csc(C)n1)C2
InChIInChI=1S/C17H29N3OS/c1-4-19-7-5-17(6-8-19)9-16(11-21-3)20(13-17)10-15-12-22-14(2)18-15/h12,16H,4-11,13H2,1-3H3
InChIKeyKRJYXRKMYKYXCV-UHFFFAOYSA-N
MW323.51 g/mol
LogP2.77
Rot. Bonds5

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

4-[[8-ethyl-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 118745719) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is 4-[[8-ethyl-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[8-ethyl-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID118745719
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC Name4-[[8-ethyl-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole
SMILESCCN1CCC2(CC1)CC(COC)N(Cc1csc(C)n1)C2
InChIInChI=1S/C17H29N3OS/c1-4-19-7-5-17(6-8-19)9-16(11-21-3)20(13-17)10-15-12-22-14(2)18-15/h12,16H,4-11,13H2,1-3H3
InChIKeyKRJYXRKMYKYXCV-UHFFFAOYSA-N
XLogP2.77
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[8-ethyl-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[8-ethyl-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole (CID 118745719) is 4-[[8-ethyl-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[8-ethyl-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[8-ethyl-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole is CCN1CCC2(CC1)CC(COC)N(Cc1csc(C)n1)C2.
What is the InChIKey of 4-[[8-ethyl-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is KRJYXRKMYKYXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3OS/c1-4-19-7-5-17(6-8-19)9-16(11-21-3)20(13-17)10-15-12-22-14(2)18-15/h12,16H,4-11,13H2,1-3H3.
What are the key properties of 4-[[8-ethyl-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole?
4-[[8-ethyl-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 323.51 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-ethyl-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 118745719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).