methyl 2-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]acetate

C8H8F3N3O4S — CID 154757867

IUPACmethyl 2-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]acetate
SMILESCOC(=O)COCC(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H8F3N3O4S/c1-17-5(16)3-18-2-4(15)12-7-14-13-6(19-7)8(9,10)11/h2-3H2,1H3,(H,12,14,15)
InChIKeyCYOXVHSFKLXXRG-UHFFFAOYSA-N
MW299.23 g/mol
LogP0.69
Rot. Bonds5

About methyl 2-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]acetate

methyl 2-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]acetate (PubChem CID 154757867) has the molecular formula C8H8F3N3O4S and a molecular weight of 299.23 g/mol. Its IUPAC name is methyl 2-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]acetate
PubChem CID154757867
Molecular FormulaC8H8F3N3O4S
Molecular Weight299.23 g/mol
Exact Mass299.02
IUPAC Namemethyl 2-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]acetate
SMILESCOC(=O)COCC(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H8F3N3O4S/c1-17-5(16)3-18-2-4(15)12-7-14-13-6(19-7)8(9,10)11/h2-3H2,1H3,(H,12,14,15)
InChIKeyCYOXVHSFKLXXRG-UHFFFAOYSA-N
XLogP0.69
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]acetate?
The IUPAC name of methyl 2-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]acetate (CID 154757867) is methyl 2-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]acetate.
What is the SMILES notation for methyl 2-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]acetate?
The canonical SMILES for methyl 2-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]acetate is COC(=O)COCC(=O)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of methyl 2-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]acetate?
The InChIKey is CYOXVHSFKLXXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O4S/c1-17-5(16)3-18-2-4(15)12-7-14-13-6(19-7)8(9,10)11/h2-3H2,1H3,(H,12,14,15).
What are the key properties of methyl 2-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]acetate?
methyl 2-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]acetate has a molecular weight of 299.23 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]acetate is sourced from PubChem (CID 154757867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).