4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine

C21H27F3N2O3S — CID 67935955

IUPAC4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine
SMILESCCOCCOc1ccc(C(C)CN2CCOC(c3csc(C(F)(F)F)n3)C2)cc1
InChIInChI=1S/C21H27F3N2O3S/c1-3-27-10-11-28-17-6-4-16(5-7-17)15(2)12-26-8-9-29-19(13-26)18-14-30-20(25-18)21(22,23)24/h4-7,14-15,19H,3,8-13H2,1-2H3
InChIKeySENMYFAYOHHIIN-UHFFFAOYSA-N
MW444.52 g/mol
LogP4.75
Rot. Bonds9

About 4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine

4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine (PubChem CID 67935955) has the molecular formula C21H27F3N2O3S and a molecular weight of 444.52 g/mol. Its IUPAC name is 4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine
PubChem CID67935955
Molecular FormulaC21H27F3N2O3S
Molecular Weight444.52 g/mol
Exact Mass444.17
IUPAC Name4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine
SMILESCCOCCOc1ccc(C(C)CN2CCOC(c3csc(C(F)(F)F)n3)C2)cc1
InChIInChI=1S/C21H27F3N2O3S/c1-3-27-10-11-28-17-6-4-16(5-7-17)15(2)12-26-8-9-29-19(13-26)18-14-30-20(25-18)21(22,23)24/h4-7,14-15,19H,3,8-13H2,1-2H3
InChIKeySENMYFAYOHHIIN-UHFFFAOYSA-N
XLogP4.75
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine?
The IUPAC name of 4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine (CID 67935955) is 4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine.
What is the SMILES notation for 4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine?
The canonical SMILES for 4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine is CCOCCOc1ccc(C(C)CN2CCOC(c3csc(C(F)(F)F)n3)C2)cc1.
What is the InChIKey of 4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine?
The InChIKey is SENMYFAYOHHIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N2O3S/c1-3-27-10-11-28-17-6-4-16(5-7-17)15(2)12-26-8-9-29-19(13-26)18-14-30-20(25-18)21(22,23)24/h4-7,14-15,19H,3,8-13H2,1-2H3.
What are the key properties of 4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine?
4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine has a molecular weight of 444.52 g/mol, XLogP of 4.75, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine is sourced from PubChem (CID 67935955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).