2-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one

C15H23N3O2S — CID 97370188

IUPAC2-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCOCCN1CCC2(CCN(Cc3nccs3)CC2)C1=O
InChIInChI=1S/C15H23N3O2S/c1-20-10-9-18-8-4-15(14(18)19)2-6-17(7-3-15)12-13-16-5-11-21-13/h5,11H,2-4,6-10,12H2,1H3
InChIKeyXOCZUCYVAQOHOK-UHFFFAOYSA-N
MW309.43 g/mol
LogP1.60
Rot. Bonds5

About 2-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one

2-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97370188) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97370188
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Name2-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCOCCN1CCC2(CCN(Cc3nccs3)CC2)C1=O
InChIInChI=1S/C15H23N3O2S/c1-20-10-9-18-8-4-15(14(18)19)2-6-17(7-3-15)12-13-16-5-11-21-13/h5,11H,2-4,6-10,12H2,1H3
InChIKeyXOCZUCYVAQOHOK-UHFFFAOYSA-N
XLogP1.60
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one (CID 97370188) is 2-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one is COCCN1CCC2(CCN(Cc3nccs3)CC2)C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is XOCZUCYVAQOHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-20-10-9-18-8-4-15(14(18)19)2-6-17(7-3-15)12-13-16-5-11-21-13/h5,11H,2-4,6-10,12H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
2-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 309.43 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97370188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).