2-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

C16H25N3O2S — CID 70783316

IUPAC2-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCCN(Cc3nccs3)C2)CCC1=O
InChIInChI=1S/C16H25N3O2S/c1-21-9-8-19-13-16(5-3-15(19)20)4-2-7-18(12-16)11-14-17-6-10-22-14/h6,10H,2-5,7-9,11-13H2,1H3
InChIKeyLCVHEXCCVKWDLW-UHFFFAOYSA-N
MW323.46 g/mol
LogP1.99
Rot. Bonds5

About 2-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

2-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70783316) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70783316
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name2-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCCN(Cc3nccs3)C2)CCC1=O
InChIInChI=1S/C16H25N3O2S/c1-21-9-8-19-13-16(5-3-15(19)20)4-2-7-18(12-16)11-14-17-6-10-22-14/h6,10H,2-5,7-9,11-13H2,1H3
InChIKeyLCVHEXCCVKWDLW-UHFFFAOYSA-N
XLogP1.99
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.99
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[5.5]undecan-3-one?
The IUPAC name of 2-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70783316) is 2-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCCN(Cc3nccs3)C2)CCC1=O.
What is the InChIKey of 2-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is LCVHEXCCVKWDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-21-9-8-19-13-16(5-3-15(19)20)4-2-7-18(12-16)11-14-17-6-10-22-14/h6,10H,2-5,7-9,11-13H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
2-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 323.46 g/mol, XLogP of 1.99, 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[5.5]undecan-3-one is sourced from PubChem (CID 70783316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).