4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenol

C17H19F3N2O2S — CID 19974223

IUPAC4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)N1CCOC(c2csc(C(F)(F)F)n2)C1
InChIInChI=1S/C17H19F3N2O2S/c1-11(8-12-2-4-13(23)5-3-12)22-6-7-24-15(9-22)14-10-25-16(21-14)17(18,19)20/h2-5,10-11,15,23H,6-9H2,1H3
InChIKeyXIKZQLXPXJAVTL-UHFFFAOYSA-N
MW372.41 g/mol
LogP3.87
Rot. Bonds4

About 4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenol

4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenol (PubChem CID 19974223) has the molecular formula C17H19F3N2O2S and a molecular weight of 372.41 g/mol. Its IUPAC name is 4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenol.

Molecular Properties

Compound Name4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenol
PubChem CID19974223
Molecular FormulaC17H19F3N2O2S
Molecular Weight372.41 g/mol
Exact Mass372.11
IUPAC Name4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)N1CCOC(c2csc(C(F)(F)F)n2)C1
InChIInChI=1S/C17H19F3N2O2S/c1-11(8-12-2-4-13(23)5-3-12)22-6-7-24-15(9-22)14-10-25-16(21-14)17(18,19)20/h2-5,10-11,15,23H,6-9H2,1H3
InChIKeyXIKZQLXPXJAVTL-UHFFFAOYSA-N
XLogP3.87
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenol?
The IUPAC name of 4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenol (CID 19974223) is 4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenol.
What is the SMILES notation for 4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenol?
The canonical SMILES for 4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenol is CC(Cc1ccc(O)cc1)N1CCOC(c2csc(C(F)(F)F)n2)C1.
What is the InChIKey of 4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenol?
The InChIKey is XIKZQLXPXJAVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2S/c1-11(8-12-2-4-13(23)5-3-12)22-6-7-24-15(9-22)14-10-25-16(21-14)17(18,19)20/h2-5,10-11,15,23H,6-9H2,1H3.
What are the key properties of 4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenol?
4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenol has a molecular weight of 372.41 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenol is sourced from PubChem (CID 19974223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).