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

C8H10F3N3O2S — CID 19019766

IUPACethyl 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate
SMILESCCOC(=O)CN(C)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H10F3N3O2S/c1-3-16-5(15)4-14(2)7-12-6(13-17-7)8(9,10)11/h3-4H2,1-2H3
InChIKeyZZMIZNGHENFIMO-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.56
Rot. Bonds4

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

ethyl 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate (PubChem CID 19019766) has the molecular formula C8H10F3N3O2S and a molecular weight of 269.25 g/mol. Its IUPAC name is ethyl 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate
PubChem CID19019766
Molecular FormulaC8H10F3N3O2S
Molecular Weight269.25 g/mol
Exact Mass269.04
IUPAC Nameethyl 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate
SMILESCCOC(=O)CN(C)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H10F3N3O2S/c1-3-16-5(15)4-14(2)7-12-6(13-17-7)8(9,10)11/h3-4H2,1-2H3
InChIKeyZZMIZNGHENFIMO-UHFFFAOYSA-N
XLogP1.56
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate (CID 19019766) is ethyl 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate is CCOC(=O)CN(C)c1nc(C(F)(F)F)ns1.
What is the InChIKey of ethyl 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate?
The InChIKey is ZZMIZNGHENFIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2S/c1-3-16-5(15)4-14(2)7-12-6(13-17-7)8(9,10)11/h3-4H2,1-2H3.
What are the key properties of ethyl 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate?
ethyl 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate has a molecular weight of 269.25 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate is sourced from PubChem (CID 19019766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).