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

C8H12F3N3O2S — CID 114243532

IUPAC2-[2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol
SMILESCN(CCOCCO)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H12F3N3O2S/c1-14(2-4-16-5-3-15)7-12-6(13-17-7)8(9,10)11/h15H,2-5H2,1H3
InChIKeyHUGSLJCOXMXQSE-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.00
Rot. Bonds6

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

2-[2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol (PubChem CID 114243532) has the molecular formula C8H12F3N3O2S and a molecular weight of 271.26 g/mol. Its IUPAC name is 2-[2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol
PubChem CID114243532
Molecular FormulaC8H12F3N3O2S
Molecular Weight271.26 g/mol
Exact Mass271.06
IUPAC Name2-[2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol
SMILESCN(CCOCCO)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H12F3N3O2S/c1-14(2-4-16-5-3-15)7-12-6(13-17-7)8(9,10)11/h15H,2-5H2,1H3
InChIKeyHUGSLJCOXMXQSE-UHFFFAOYSA-N
XLogP1.00
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol
CID 107304911
2-[Propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305659
2-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305667
2-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305672
2-[2-Hydroxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305676
2-[Propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305679
2-[Butyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305680
[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol
CID 107305723
[5-Methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol
CID 107305725
[6,6-Dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol
CID 107305743
[6-Methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol
CID 107305754
2-[2,2-Difluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107484087

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol (CID 114243532) is 2-[2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol is CN(CCOCCO)c1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-[2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol?
The InChIKey is HUGSLJCOXMXQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2S/c1-14(2-4-16-5-3-15)7-12-6(13-17-7)8(9,10)11/h15H,2-5H2,1H3.
What are the key properties of 2-[2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol?
2-[2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol has a molecular weight of 271.26 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol is sourced from PubChem (CID 114243532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).