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

C7H10F3N3O2S — CID 107304911

IUPAC2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol
SMILESOCCOCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3O2S/c8-7(9,10)5-12-6(16-13-5)11-1-3-15-4-2-14/h14H,1-4H2,(H,11,12,13)
InChIKeySJGARTLZKJHEHE-UHFFFAOYSA-N
MW257.24 g/mol
LogP0.98
Rot. Bonds6

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

2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol (PubChem CID 107304911) has the molecular formula C7H10F3N3O2S and a molecular weight of 257.24 g/mol. Its IUPAC name is 2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol
PubChem CID107304911
Molecular FormulaC7H10F3N3O2S
Molecular Weight257.24 g/mol
Exact Mass257.04
IUPAC Name2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol
SMILESOCCOCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3O2S/c8-7(9,10)5-12-6(16-13-5)11-1-3-15-4-2-14/h14H,1-4H2,(H,11,12,13)
InChIKeySJGARTLZKJHEHE-UHFFFAOYSA-N
XLogP0.98
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 50.98
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-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304642
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65272894
N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 103081419
N-ethyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine
CID 103476985
N-(2-methoxyethyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazol-5-amine
CID 103476994
N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine
CID 103476995
N-[3-(2-methoxyethoxy)propyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105681610
N-(2,3-dimethoxypropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105700397
3-Methoxy-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 106186211
2-[2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]acetic acid
CID 107304390
N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304659
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107304692

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol (CID 107304911) is 2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol is OCCOCCNc1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol?
The InChIKey is SJGARTLZKJHEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2S/c8-7(9,10)5-12-6(16-13-5)11-1-3-15-4-2-14/h14H,1-4H2,(H,11,12,13).
What are the key properties of 2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol?
2-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol has a molecular weight of 257.24 g/mol, XLogP of 0.98, 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]ethanol is sourced from PubChem (CID 107304911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).