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

C7H8F3N3O3S — CID 107304390

IUPAC2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]acetic acid
SMILESO=C(O)COCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H8F3N3O3S/c8-7(9,10)5-12-6(17-13-5)11-1-2-16-3-4(14)15/h1-3H2,(H,14,15)(H,11,12,13)
InChIKeyPPIRZSOMYZODPM-UHFFFAOYSA-N
MW271.22 g/mol
LogP1.07
Rot. Bonds6

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

2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]acetic acid (PubChem CID 107304390) has the molecular formula C7H8F3N3O3S and a molecular weight of 271.22 g/mol. Its IUPAC name is 2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]acetic acid
PubChem CID107304390
Molecular FormulaC7H8F3N3O3S
Molecular Weight271.22 g/mol
Exact Mass271.02
IUPAC Name2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]acetic acid
SMILESO=C(O)COCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H8F3N3O3S/c8-7(9,10)5-12-6(17-13-5)11-1-2-16-3-4(14)15/h1-3H2,(H,14,15)(H,11,12,13)
InChIKeyPPIRZSOMYZODPM-UHFFFAOYSA-N
XLogP1.07
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 51.07
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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Related Compounds

N-ethylethanamine;2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]acetic acid
CID 70444312
2-Methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid
CID 106108408
2-[2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]acetamide
CID 106239543
Ethyl 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate
CID 107304732
2-[2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol
CID 107304911
2-[2-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid
CID 79456941
2-[2-[(3-Methyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid
CID 79457290
2-[2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid
CID 79457376
2-[2-[(3-Propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid
CID 79457384
2-[2-[(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid
CID 79457757
2-[2-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid
CID 79457937

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]acetic acid (CID 107304390) is 2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]acetic acid is O=C(O)COCCNc1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]acetic acid?
The InChIKey is PPIRZSOMYZODPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O3S/c8-7(9,10)5-12-6(17-13-5)11-1-2-16-3-4(14)15/h1-3H2,(H,14,15)(H,11,12,13).
What are the key properties of 2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]acetic acid?
2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]acetic acid has a molecular weight of 271.22 g/mol, XLogP of 1.07, 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]acetic acid is sourced from PubChem (CID 107304390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).