2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-6-methylmorpholin-2-yl]ethanol

C11H14BrF3N2O2S — CID 166296845

IUPAC2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-6-methylmorpholin-2-yl]ethanol
SMILESCC1CN(c2nc(C(F)(F)F)c(Br)s2)CC(CCO)O1
InChIInChI=1S/C11H14BrF3N2O2S/c1-6-4-17(5-7(19-6)2-3-18)10-16-8(9(12)20-10)11(13,14)15/h6-7,18H,2-5H2,1H3
InChIKeyFYPKNJQDBXQUPA-UHFFFAOYSA-N
MW375.21 g/mol
LogP2.90
Rot. Bonds3

About 2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-6-methylmorpholin-2-yl]ethanol

2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-6-methylmorpholin-2-yl]ethanol (PubChem CID 166296845) has the molecular formula C11H14BrF3N2O2S and a molecular weight of 375.21 g/mol. Its IUPAC name is 2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-6-methylmorpholin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-6-methylmorpholin-2-yl]ethanol
PubChem CID166296845
Molecular FormulaC11H14BrF3N2O2S
Molecular Weight375.21 g/mol
Exact Mass373.99
IUPAC Name2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-6-methylmorpholin-2-yl]ethanol
SMILESCC1CN(c2nc(C(F)(F)F)c(Br)s2)CC(CCO)O1
InChIInChI=1S/C11H14BrF3N2O2S/c1-6-4-17(5-7(19-6)2-3-18)10-16-8(9(12)20-10)11(13,14)15/h6-7,18H,2-5H2,1H3
InChIKeyFYPKNJQDBXQUPA-UHFFFAOYSA-N
XLogP2.90
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-Bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-methyl-6-(trifluoromethyl)morpholine
CID 166237856
4-[5-Bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(methoxymethyl)-6-methylmorpholine
CID 166237867
4-[5-Bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-cyclopropyl-6-methylmorpholine
CID 166237870
(2S,7R)-4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,7-dimethyl-1,4-oxazepane
CID 166243697
2-[4-[5-Bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]propan-2-ol
CID 167828362

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-6-methylmorpholin-2-yl]ethanol?
The IUPAC name of 2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-6-methylmorpholin-2-yl]ethanol (CID 166296845) is 2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-6-methylmorpholin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-6-methylmorpholin-2-yl]ethanol?
The canonical SMILES for 2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-6-methylmorpholin-2-yl]ethanol is CC1CN(c2nc(C(F)(F)F)c(Br)s2)CC(CCO)O1.
What is the InChIKey of 2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-6-methylmorpholin-2-yl]ethanol?
The InChIKey is FYPKNJQDBXQUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF3N2O2S/c1-6-4-17(5-7(19-6)2-3-18)10-16-8(9(12)20-10)11(13,14)15/h6-7,18H,2-5H2,1H3.
What are the key properties of 2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-6-methylmorpholin-2-yl]ethanol?
2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-6-methylmorpholin-2-yl]ethanol has a molecular weight of 375.21 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-6-methylmorpholin-2-yl]ethanol is sourced from PubChem (CID 166296845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).