2-[1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-9-yl]-1,3,4-thiadiazole

C13H22N4OS — CID 118738992

IUPAC2-[1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-9-yl]-1,3,4-thiadiazole
SMILESCOCCN1CCCC12CCCN(c1nncs1)C2
InChIInChI=1S/C13H22N4OS/c1-18-9-8-17-7-3-5-13(17)4-2-6-16(10-13)12-15-14-11-19-12/h11H,2-10H2,1H3
InChIKeyVLCBRYUHASKOTF-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.62
Rot. Bonds4

About 2-[1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-9-yl]-1,3,4-thiadiazole

2-[1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-9-yl]-1,3,4-thiadiazole (PubChem CID 118738992) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-9-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-9-yl]-1,3,4-thiadiazole
PubChem CID118738992
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name2-[1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-9-yl]-1,3,4-thiadiazole
SMILESCOCCN1CCCC12CCCN(c1nncs1)C2
InChIInChI=1S/C13H22N4OS/c1-18-9-8-17-7-3-5-13(17)4-2-6-16(10-13)12-15-14-11-19-12/h11H,2-10H2,1H3
InChIKeyVLCBRYUHASKOTF-UHFFFAOYSA-N
XLogP1.62
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-9-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-[1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-9-yl]-1,3,4-thiadiazole (CID 118738992) is 2-[1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-9-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-9-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-9-yl]-1,3,4-thiadiazole is COCCN1CCCC12CCCN(c1nncs1)C2.
What is the InChIKey of 2-[1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-9-yl]-1,3,4-thiadiazole?
The InChIKey is VLCBRYUHASKOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-18-9-8-17-7-3-5-13(17)4-2-6-16(10-13)12-15-14-11-19-12/h11H,2-10H2,1H3.
What are the key properties of 2-[1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-9-yl]-1,3,4-thiadiazole?
2-[1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-9-yl]-1,3,4-thiadiazole has a molecular weight of 282.41 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-9-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 118738992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).