methyl 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetate

C20H23F3N2O5S — CID 14347771

IUPACmethyl 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(CC(C)N2CCOC(O)(c3csc(C(F)(F)F)n3)C2)cc1
InChIInChI=1S/C20H23F3N2O5S/c1-13(9-14-3-5-15(6-4-14)29-10-17(26)28-2)25-7-8-30-19(27,12-25)16-11-31-18(24-16)20(21,22)23/h3-6,11,13,27H,7-10,12H2,1-2H3
InChIKeyGBTSTEMBUBSPDZ-UHFFFAOYSA-N
MW460.47 g/mol
LogP2.82
Rot. Bonds7

About methyl 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetate

methyl 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetate (PubChem CID 14347771) has the molecular formula C20H23F3N2O5S and a molecular weight of 460.47 g/mol. Its IUPAC name is methyl 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetate
PubChem CID14347771
Molecular FormulaC20H23F3N2O5S
Molecular Weight460.47 g/mol
Exact Mass460.13
IUPAC Namemethyl 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(CC(C)N2CCOC(O)(c3csc(C(F)(F)F)n3)C2)cc1
InChIInChI=1S/C20H23F3N2O5S/c1-13(9-14-3-5-15(6-4-14)29-10-17(26)28-2)25-7-8-30-19(27,12-25)16-11-31-18(24-16)20(21,22)23/h3-6,11,13,27H,7-10,12H2,1-2H3
InChIKeyGBTSTEMBUBSPDZ-UHFFFAOYSA-N
XLogP2.82
TPSA81.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetate (CID 14347771) is methyl 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetate is COC(=O)COc1ccc(CC(C)N2CCOC(O)(c3csc(C(F)(F)F)n3)C2)cc1.
What is the InChIKey of methyl 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetate?
The InChIKey is GBTSTEMBUBSPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O5S/c1-13(9-14-3-5-15(6-4-14)29-10-17(26)28-2)25-7-8-30-19(27,12-25)16-11-31-18(24-16)20(21,22)23/h3-6,11,13,27H,7-10,12H2,1-2H3.
What are the key properties of methyl 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetate?
methyl 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetate has a molecular weight of 460.47 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetate is sourced from PubChem (CID 14347771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).