8-(2-methoxyethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C15H25N3O3S — CID 134072858

IUPAC8-(2-methoxyethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCOCCN1CCOCC2(C1)CN(Cc1nccs1)CCO2
InChIInChI=1S/C15H25N3O3S/c1-19-6-3-17-4-7-20-13-15(11-17)12-18(5-8-21-15)10-14-16-2-9-22-14/h2,9H,3-8,10-13H2,1H3
InChIKeyXZZBMNGHPSNAFQ-UHFFFAOYSA-N
MW327.45 g/mol
LogP0.69
Rot. Bonds5

About 8-(2-methoxyethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

8-(2-methoxyethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 134072858) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 8-(2-methoxyethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name8-(2-methoxyethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID134072858
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name8-(2-methoxyethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCOCCN1CCOCC2(C1)CN(Cc1nccs1)CCO2
InChIInChI=1S/C15H25N3O3S/c1-19-6-3-17-4-7-20-13-15(11-17)12-18(5-8-21-15)10-14-16-2-9-22-14/h2,9H,3-8,10-13H2,1H3
InChIKeyXZZBMNGHPSNAFQ-UHFFFAOYSA-N
XLogP0.69
TPSA47.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of 8-(2-methoxyethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 134072858) is 8-(2-methoxyethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for 8-(2-methoxyethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for 8-(2-methoxyethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is COCCN1CCOCC2(C1)CN(Cc1nccs1)CCO2.
What is the InChIKey of 8-(2-methoxyethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is XZZBMNGHPSNAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-19-6-3-17-4-7-20-13-15(11-17)12-18(5-8-21-15)10-14-16-2-9-22-14/h2,9H,3-8,10-13H2,1H3.
What are the key properties of 8-(2-methoxyethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
8-(2-methoxyethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 327.45 g/mol, XLogP of 0.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 134072858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).