8-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane

C19H24N2O3S — CID 55591032

IUPAC8-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCOc1ccc(-c2nc(CN3CCC4(CC3)OCCO4)cs2)cc1
InChIInChI=1S/C19H24N2O3S/c1-2-22-17-5-3-15(4-6-17)18-20-16(14-25-18)13-21-9-7-19(8-10-21)23-11-12-24-19/h3-6,14H,2,7-13H2,1H3
InChIKeyUYSJBHOTCXJHPW-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.55
Rot. Bonds5

About 8-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 55591032) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 8-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID55591032
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name8-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCOc1ccc(-c2nc(CN3CCC4(CC3)OCCO4)cs2)cc1
InChIInChI=1S/C19H24N2O3S/c1-2-22-17-5-3-15(4-6-17)18-20-16(14-25-18)13-21-9-7-19(8-10-21)23-11-12-24-19/h3-6,14H,2,7-13H2,1H3
InChIKeyUYSJBHOTCXJHPW-UHFFFAOYSA-N
XLogP3.55
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 55591032) is 8-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane is CCOc1ccc(-c2nc(CN3CCC4(CC3)OCCO4)cs2)cc1.
What is the InChIKey of 8-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is UYSJBHOTCXJHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-2-22-17-5-3-15(4-6-17)18-20-16(14-25-18)13-21-9-7-19(8-10-21)23-11-12-24-19/h3-6,14H,2,7-13H2,1H3.
What are the key properties of 8-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 360.48 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 55591032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).