4-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol

C21H27F3N2O4S — CID 14347778

IUPAC4-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol
SMILESCCOCCOc1ccc(CC(C)N2CCOC(O)(c3csc(C(F)(F)F)n3)C2)cc1
InChIInChI=1S/C21H27F3N2O4S/c1-3-28-10-11-29-17-6-4-16(5-7-17)12-15(2)26-8-9-30-20(27,14-26)18-13-31-19(25-18)21(22,23)24/h4-7,13,15,27H,3,8-12,14H2,1-2H3
InChIKeyMPFFOVAZYQWFJW-UHFFFAOYSA-N
MW460.52 g/mol
LogP3.69
Rot. Bonds9

About 4-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol

4-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol (PubChem CID 14347778) has the molecular formula C21H27F3N2O4S and a molecular weight of 460.52 g/mol. Its IUPAC name is 4-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol.

Molecular Properties

Compound Name4-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol
PubChem CID14347778
Molecular FormulaC21H27F3N2O4S
Molecular Weight460.52 g/mol
Exact Mass460.16
IUPAC Name4-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol
SMILESCCOCCOc1ccc(CC(C)N2CCOC(O)(c3csc(C(F)(F)F)n3)C2)cc1
InChIInChI=1S/C21H27F3N2O4S/c1-3-28-10-11-29-17-6-4-16(5-7-17)12-15(2)26-8-9-30-20(27,14-26)18-13-31-19(25-18)21(22,23)24/h4-7,13,15,27H,3,8-12,14H2,1-2H3
InChIKeyMPFFOVAZYQWFJW-UHFFFAOYSA-N
XLogP3.69
TPSA64.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol?
The IUPAC name of 4-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol (CID 14347778) is 4-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol.
What is the SMILES notation for 4-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol?
The canonical SMILES for 4-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol is CCOCCOc1ccc(CC(C)N2CCOC(O)(c3csc(C(F)(F)F)n3)C2)cc1.
What is the InChIKey of 4-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol?
The InChIKey is MPFFOVAZYQWFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N2O4S/c1-3-28-10-11-29-17-6-4-16(5-7-17)12-15(2)26-8-9-30-20(27,14-26)18-13-31-19(25-18)21(22,23)24/h4-7,13,15,27H,3,8-12,14H2,1-2H3.
What are the key properties of 4-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol?
4-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol has a molecular weight of 460.52 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-2-ol is sourced from PubChem (CID 14347778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).