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

C7H10F3N3O2S — CID 107305676

IUPAC2-[2-hydroxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
SMILESOCCN(CCO)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3O2S/c8-7(9,10)5-11-6(16-12-5)13(1-3-14)2-4-15/h14-15H,1-4H2
InChIKeyPKNBETPXBIVJPB-UHFFFAOYSA-N
MW257.24 g/mol
LogP0.35
Rot. Bonds5

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

2-[2-hydroxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol (PubChem CID 107305676) has the molecular formula C7H10F3N3O2S and a molecular weight of 257.24 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
PubChem CID107305676
Molecular FormulaC7H10F3N3O2S
Molecular Weight257.24 g/mol
Exact Mass257.04
IUPAC Name2-[2-hydroxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
SMILESOCCN(CCO)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3O2S/c8-7(9,10)5-11-6(16-12-5)13(1-3-14)2-4-15/h14-15H,1-4H2
InChIKeyPKNBETPXBIVJPB-UHFFFAOYSA-N
XLogP0.35
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304287
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107304692
2-[Propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305659
2-[Cyclopropyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305662
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
3-[Propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 107305674
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
2-[Pentan-3-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305683
2-[Cyclopentyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305687
1-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 107305690

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol (CID 107305676) is 2-[2-hydroxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol is OCCN(CCO)c1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-[2-hydroxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
The InChIKey is PKNBETPXBIVJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2S/c8-7(9,10)5-11-6(16-12-5)13(1-3-14)2-4-15/h14-15H,1-4H2.
What are the key properties of 2-[2-hydroxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
2-[2-hydroxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol has a molecular weight of 257.24 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol is sourced from PubChem (CID 107305676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).