11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane

C15H25N3OS — CID 131640005

IUPAC11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCCN1CCOCC2(CCCN(Cc3nccs3)C2)C1
InChIInChI=1S/C15H25N3OS/c1-2-17-7-8-19-13-15(11-17)4-3-6-18(12-15)10-14-16-5-9-20-14/h5,9H,2-4,6-8,10-13H2,1H3
InChIKeyCGUCYLYYQCJWEC-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.08
Rot. Bonds3

About 11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane

11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 131640005) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID131640005
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCCN1CCOCC2(CCCN(Cc3nccs3)C2)C1
InChIInChI=1S/C15H25N3OS/c1-2-17-7-8-19-13-15(11-17)4-3-6-18(12-15)10-14-16-5-9-20-14/h5,9H,2-4,6-8,10-13H2,1H3
InChIKeyCGUCYLYYQCJWEC-UHFFFAOYSA-N
XLogP2.08
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of 11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 131640005) is 11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane is CCN1CCOCC2(CCCN(Cc3nccs3)C2)C1.
What is the InChIKey of 11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is CGUCYLYYQCJWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-2-17-7-8-19-13-15(11-17)4-3-6-18(12-15)10-14-16-5-9-20-14/h5,9H,2-4,6-8,10-13H2,1H3.
What are the key properties of 11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 295.45 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 131640005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).