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

C20H24F3N3O4S — CID 14347774

IUPAC2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(CC(C)N2CCOC(O)(c3csc(C(F)(F)F)n3)C2)cc1
InChIInChI=1S/C20H24F3N3O4S/c1-13(9-14-3-5-15(6-4-14)29-10-17(27)24-2)26-7-8-30-19(28,12-26)16-11-31-18(25-16)20(21,22)23/h3-6,11,13,28H,7-10,12H2,1-2H3,(H,24,27)
InChIKeyLEIIVEFEBJEFTP-UHFFFAOYSA-N
MW459.49 g/mol
LogP2.40
Rot. Bonds7

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

2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]-N-methylacetamide (PubChem CID 14347774) has the molecular formula C20H24F3N3O4S and a molecular weight of 459.49 g/mol. Its IUPAC name is 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]-N-methylacetamide
PubChem CID14347774
Molecular FormulaC20H24F3N3O4S
Molecular Weight459.49 g/mol
Exact Mass459.14
IUPAC Name2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(CC(C)N2CCOC(O)(c3csc(C(F)(F)F)n3)C2)cc1
InChIInChI=1S/C20H24F3N3O4S/c1-13(9-14-3-5-15(6-4-14)29-10-17(27)24-2)26-7-8-30-19(28,12-26)16-11-31-18(25-16)20(21,22)23/h3-6,11,13,28H,7-10,12H2,1-2H3,(H,24,27)
InChIKeyLEIIVEFEBJEFTP-UHFFFAOYSA-N
XLogP2.40
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]-N-methylacetamide (CID 14347774) is 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]-N-methylacetamide is CNC(=O)COc1ccc(CC(C)N2CCOC(O)(c3csc(C(F)(F)F)n3)C2)cc1.
What is the InChIKey of 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]-N-methylacetamide?
The InChIKey is LEIIVEFEBJEFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O4S/c1-13(9-14-3-5-15(6-4-14)29-10-17(27)24-2)26-7-8-30-19(28,12-26)16-11-31-18(25-16)20(21,22)23/h3-6,11,13,28H,7-10,12H2,1-2H3,(H,24,27).
What are the key properties of 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]-N-methylacetamide?
2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]-N-methylacetamide has a molecular weight of 459.49 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]-N-methylacetamide is sourced from PubChem (CID 14347774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).