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

C15H23N3O2S — CID 70760346

IUPAC2-(2-methoxyethyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCCN(c3nccs3)C2)CCC1=O
InChIInChI=1S/C15H23N3O2S/c1-20-9-8-17-11-15(5-3-13(17)19)4-2-7-18(12-15)14-16-6-10-21-14/h6,10H,2-5,7-9,11-12H2,1H3
InChIKeyOJJRPNPKGGHYTB-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.00
Rot. Bonds4

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

2-(2-methoxyethyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70760346) 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-yl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70760346
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Name2-(2-methoxyethyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCCN(c3nccs3)C2)CCC1=O
InChIInChI=1S/C15H23N3O2S/c1-20-9-8-17-11-15(5-3-13(17)19)4-2-7-18(12-15)14-16-6-10-21-14/h6,10H,2-5,7-9,11-12H2,1H3
InChIKeyOJJRPNPKGGHYTB-UHFFFAOYSA-N
XLogP2.00
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.00
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-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-methoxyethyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70760346) is 2-(2-methoxyethyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCCN(c3nccs3)C2)CCC1=O.
What is the InChIKey of 2-(2-methoxyethyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is OJJRPNPKGGHYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-20-9-8-17-11-15(5-3-13(17)19)4-2-7-18(12-15)14-16-6-10-21-14/h6,10H,2-5,7-9,11-12H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one?
2-(2-methoxyethyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 309.43 g/mol, XLogP of 2.00, 4 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-yl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70760346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).