2-[4-[1-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propan-2-yl]phenoxy]ethanol

C19H23F3N2O3S — CID 67936262

IUPAC2-[4-[1-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propan-2-yl]phenoxy]ethanol
SMILESCC(CN1CCOC(c2csc(C(F)(F)F)n2)C1)c1ccc(OCCO)cc1
InChIInChI=1S/C19H23F3N2O3S/c1-13(14-2-4-15(5-3-14)26-9-7-25)10-24-6-8-27-17(11-24)16-12-28-18(23-16)19(20,21)22/h2-5,12-13,17,25H,6-11H2,1H3
InChIKeyGMPADXKVSGHSAA-UHFFFAOYSA-N
MW416.47 g/mol
LogP3.71
Rot. Bonds7

About 2-[4-[1-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propan-2-yl]phenoxy]ethanol

2-[4-[1-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propan-2-yl]phenoxy]ethanol (PubChem CID 67936262) has the molecular formula C19H23F3N2O3S and a molecular weight of 416.47 g/mol. Its IUPAC name is 2-[4-[1-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propan-2-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[1-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propan-2-yl]phenoxy]ethanol
PubChem CID67936262
Molecular FormulaC19H23F3N2O3S
Molecular Weight416.47 g/mol
Exact Mass416.14
IUPAC Name2-[4-[1-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propan-2-yl]phenoxy]ethanol
SMILESCC(CN1CCOC(c2csc(C(F)(F)F)n2)C1)c1ccc(OCCO)cc1
InChIInChI=1S/C19H23F3N2O3S/c1-13(14-2-4-15(5-3-14)26-9-7-25)10-24-6-8-27-17(11-24)16-12-28-18(23-16)19(20,21)22/h2-5,12-13,17,25H,6-11H2,1H3
InChIKeyGMPADXKVSGHSAA-UHFFFAOYSA-N
XLogP3.71
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propan-2-yl]phenoxy]ethanol?
The IUPAC name of 2-[4-[1-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propan-2-yl]phenoxy]ethanol (CID 67936262) is 2-[4-[1-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propan-2-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[1-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propan-2-yl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[1-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propan-2-yl]phenoxy]ethanol is CC(CN1CCOC(c2csc(C(F)(F)F)n2)C1)c1ccc(OCCO)cc1.
What is the InChIKey of 2-[4-[1-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propan-2-yl]phenoxy]ethanol?
The InChIKey is GMPADXKVSGHSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O3S/c1-13(14-2-4-15(5-3-14)26-9-7-25)10-24-6-8-27-17(11-24)16-12-28-18(23-16)19(20,21)22/h2-5,12-13,17,25H,6-11H2,1H3.
What are the key properties of 2-[4-[1-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propan-2-yl]phenoxy]ethanol?
2-[4-[1-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propan-2-yl]phenoxy]ethanol has a molecular weight of 416.47 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propan-2-yl]phenoxy]ethanol is sourced from PubChem (CID 67936262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).