2-[2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole

C16H28N4O2S — CID 131663345

IUPAC2-[2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole
SMILESCOCCN1CC(COC)C2(CCN(c3nnc(C)s3)CC2)C1
InChIInChI=1S/C16H28N4O2S/c1-13-17-18-15(23-13)20-6-4-16(5-7-20)12-19(8-9-21-2)10-14(16)11-22-3/h14H,4-12H2,1-3H3
InChIKeyCNZMCJRDKGSZGE-UHFFFAOYSA-N
MW340.49 g/mol
LogP1.66
Rot. Bonds6

About 2-[2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole

2-[2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole (PubChem CID 131663345) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-[2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole
PubChem CID131663345
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC Name2-[2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole
SMILESCOCCN1CC(COC)C2(CCN(c3nnc(C)s3)CC2)C1
InChIInChI=1S/C16H28N4O2S/c1-13-17-18-15(23-13)20-6-4-16(5-7-20)12-19(8-9-21-2)10-14(16)11-22-3/h14H,4-12H2,1-3H3
InChIKeyCNZMCJRDKGSZGE-UHFFFAOYSA-N
XLogP1.66
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole (CID 131663345) is 2-[2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole is COCCN1CC(COC)C2(CCN(c3nnc(C)s3)CC2)C1.
What is the InChIKey of 2-[2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is CNZMCJRDKGSZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-13-17-18-15(23-13)20-6-4-16(5-7-20)12-19(8-9-21-2)10-14(16)11-22-3/h14H,4-12H2,1-3H3.
What are the key properties of 2-[2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole?
2-[2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 340.49 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 131663345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).