2,2-dimethyl-6-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]morpholine

C10H14F3N3O2S — CID 107305928

IUPAC2,2-dimethyl-6-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]morpholine
SMILESCC1(C)CNCC(COc2nc(C(F)(F)F)ns2)O1
InChIInChI=1S/C10H14F3N3O2S/c1-9(2)5-14-3-6(18-9)4-17-8-15-7(16-19-8)10(11,12)13/h6,14H,3-5H2,1-2H3
InChIKeyIFAHERIHJTUIKA-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.70
Rot. Bonds3

About 2,2-dimethyl-6-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]morpholine

2,2-dimethyl-6-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]morpholine (PubChem CID 107305928) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is 2,2-dimethyl-6-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]morpholine.

Molecular Properties

Compound Name2,2-dimethyl-6-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]morpholine
PubChem CID107305928
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC Name2,2-dimethyl-6-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]morpholine
SMILESCC1(C)CNCC(COc2nc(C(F)(F)F)ns2)O1
InChIInChI=1S/C10H14F3N3O2S/c1-9(2)5-14-3-6(18-9)4-17-8-15-7(16-19-8)10(11,12)13/h6,14H,3-5H2,1-2H3
InChIKeyIFAHERIHJTUIKA-UHFFFAOYSA-N
XLogP1.70
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(4-chloro-1,3-thiazol-2-yl)oxymethyl]-2,2-dimethylmorpholine
CID 114775902
2,2-dimethyl-6-[(4-methylpyrimidin-2-yl)oxymethyl]morpholine
CID 114775795
6-[(6-methoxy-2-methylpyrimidin-4-yl)oxymethyl]-2,2-dimethylmorpholine
CID 114775678
2,2-dimethyl-6-[(6-propoxypyrazin-2-yl)oxymethyl]morpholine
CID 114775746
2,2-dimethyl-6-[(1-methylimidazol-2-yl)oxymethyl]morpholine
CID 114775834
6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2,2-dimethylmorpholine
CID 114775820
6-[(4-methoxy-6-methylpyrimidin-2-yl)oxymethyl]-2,2-dimethylmorpholine
CID 114775691
6-[(5-bromopyrimidin-4-yl)oxymethyl]-2,2-dimethylmorpholine
CID 114775968
4-[(6,6-dimethylmorpholin-2-yl)methoxy]benzonitrile
CID 114775943
6-(bromomethyl)-2,2-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine
CID 107306197
6-[(5-bromo-4-methyl-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine
CID 114869831
3-[(6,6-dimethylmorpholin-2-yl)methoxy]-1-ethylpyrazin-2-one
CID 114775957

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]morpholine?
The IUPAC name of 2,2-dimethyl-6-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]morpholine (CID 107305928) is 2,2-dimethyl-6-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]morpholine.
What is the SMILES notation for 2,2-dimethyl-6-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]morpholine?
The canonical SMILES for 2,2-dimethyl-6-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]morpholine is CC1(C)CNCC(COc2nc(C(F)(F)F)ns2)O1.
What is the InChIKey of 2,2-dimethyl-6-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]morpholine?
The InChIKey is IFAHERIHJTUIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-9(2)5-14-3-6(18-9)4-17-8-15-7(16-19-8)10(11,12)13/h6,14H,3-5H2,1-2H3.
What are the key properties of 2,2-dimethyl-6-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]morpholine?
2,2-dimethyl-6-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]morpholine has a molecular weight of 297.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]morpholine is sourced from PubChem (CID 107305928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).