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

C11H14BrF3N2O2S — CID 166237867

IUPAC4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(methoxymethyl)-6-methylmorpholine
SMILESCOCC1CN(c2nc(C(F)(F)F)c(Br)s2)CC(C)O1
InChIInChI=1S/C11H14BrF3N2O2S/c1-6-3-17(4-7(19-6)5-18-2)10-16-8(9(12)20-10)11(13,14)15/h6-7H,3-5H2,1-2H3
InChIKeyVNAXSQPPZYELGJ-UHFFFAOYSA-N
MW375.21 g/mol
LogP3.16
Rot. Bonds3

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

4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(methoxymethyl)-6-methylmorpholine (PubChem CID 166237867) has the molecular formula C11H14BrF3N2O2S and a molecular weight of 375.21 g/mol. Its IUPAC name is 4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(methoxymethyl)-6-methylmorpholine.

Molecular Properties

Compound Name4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(methoxymethyl)-6-methylmorpholine
PubChem CID166237867
Molecular FormulaC11H14BrF3N2O2S
Molecular Weight375.21 g/mol
Exact Mass373.99
IUPAC Name4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(methoxymethyl)-6-methylmorpholine
SMILESCOCC1CN(c2nc(C(F)(F)F)c(Br)s2)CC(C)O1
InChIInChI=1S/C11H14BrF3N2O2S/c1-6-3-17(4-7(19-6)5-18-2)10-16-8(9(12)20-10)11(13,14)15/h6-7H,3-5H2,1-2H3
InChIKeyVNAXSQPPZYELGJ-UHFFFAOYSA-N
XLogP3.16
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(methoxymethyl)-6-methylmorpholine?
The IUPAC name of 4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(methoxymethyl)-6-methylmorpholine (CID 166237867) is 4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(methoxymethyl)-6-methylmorpholine.
What is the SMILES notation for 4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(methoxymethyl)-6-methylmorpholine?
The canonical SMILES for 4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(methoxymethyl)-6-methylmorpholine is COCC1CN(c2nc(C(F)(F)F)c(Br)s2)CC(C)O1.
What is the InChIKey of 4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(methoxymethyl)-6-methylmorpholine?
The InChIKey is VNAXSQPPZYELGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF3N2O2S/c1-6-3-17(4-7(19-6)5-18-2)10-16-8(9(12)20-10)11(13,14)15/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(methoxymethyl)-6-methylmorpholine?
4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(methoxymethyl)-6-methylmorpholine has a molecular weight of 375.21 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(methoxymethyl)-6-methylmorpholine is sourced from PubChem (CID 166237867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).