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

C7H9F3N4O2S — CID 106239543

IUPAC2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H9F3N4O2S/c8-7(9,10)5-13-6(17-14-5)12-1-2-16-3-4(11)15/h1-3H2,(H2,11,15)(H,12,13,14)
InChIKeyYCDNPDZOUOIJST-UHFFFAOYSA-N
MW270.24 g/mol
LogP0.47
Rot. Bonds6

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

2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]acetamide (PubChem CID 106239543) has the molecular formula C7H9F3N4O2S and a molecular weight of 270.24 g/mol. Its IUPAC name is 2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]acetamide
PubChem CID106239543
Molecular FormulaC7H9F3N4O2S
Molecular Weight270.24 g/mol
Exact Mass270.04
IUPAC Name2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H9F3N4O2S/c8-7(9,10)5-13-6(17-14-5)12-1-2-16-3-4(11)15/h1-3H2,(H2,11,15)(H,12,13,14)
InChIKeyYCDNPDZOUOIJST-UHFFFAOYSA-N
XLogP0.47
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]acetamide (CID 106239543) is 2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]acetamide is NC(=O)COCCNc1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]acetamide?
The InChIKey is YCDNPDZOUOIJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O2S/c8-7(9,10)5-13-6(17-14-5)12-1-2-16-3-4(11)15/h1-3H2,(H2,11,15)(H,12,13,14).
What are the key properties of 2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]acetamide?
2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]acetamide has a molecular weight of 270.24 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]acetamide is sourced from PubChem (CID 106239543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).