4-[[7-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-1-yl]methyl]-2-methyl-1,3-thiazole

C14H23N3OS — CID 131645572

IUPAC4-[[7-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCOCCN1CCC2(CCN2Cc2csc(C)n2)C1
InChIInChI=1S/C14H23N3OS/c1-12-15-13(10-19-12)9-17-6-4-14(17)3-5-16(11-14)7-8-18-2/h10H,3-9,11H2,1-2H3
InChIKeyCAFIRKANMXYOFA-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.75
Rot. Bonds5

About 4-[[7-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-1-yl]methyl]-2-methyl-1,3-thiazole

4-[[7-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-1-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 131645572) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-[[7-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-1-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[7-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-1-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID131645572
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name4-[[7-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCOCCN1CCC2(CCN2Cc2csc(C)n2)C1
InChIInChI=1S/C14H23N3OS/c1-12-15-13(10-19-12)9-17-6-4-14(17)3-5-16(11-14)7-8-18-2/h10H,3-9,11H2,1-2H3
InChIKeyCAFIRKANMXYOFA-UHFFFAOYSA-N
XLogP1.75
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-1-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[7-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-1-yl]methyl]-2-methyl-1,3-thiazole (CID 131645572) is 4-[[7-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-1-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[7-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-1-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[7-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-1-yl]methyl]-2-methyl-1,3-thiazole is COCCN1CCC2(CCN2Cc2csc(C)n2)C1.
What is the InChIKey of 4-[[7-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-1-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is CAFIRKANMXYOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-12-15-13(10-19-12)9-17-6-4-14(17)3-5-16(11-14)7-8-18-2/h10H,3-9,11H2,1-2H3.
What are the key properties of 4-[[7-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-1-yl]methyl]-2-methyl-1,3-thiazole?
4-[[7-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-1-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 281.42 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-1-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 131645572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).