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

C8H12F3N3OS — CID 107305679

IUPAC2-[propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
SMILESCCCN(CCO)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H12F3N3OS/c1-2-3-14(4-5-15)7-12-6(13-16-7)8(9,10)11/h15H,2-5H2,1H3
InChIKeyGFAVZUDSRZRBPC-UHFFFAOYSA-N
MW255.26 g/mol
LogP1.77
Rot. Bonds5

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

2-[propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol (PubChem CID 107305679) has the molecular formula C8H12F3N3OS and a molecular weight of 255.26 g/mol. Its IUPAC name is 2-[propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol.

Molecular Properties

Compound Name2-[propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
PubChem CID107305679
Molecular FormulaC8H12F3N3OS
Molecular Weight255.26 g/mol
Exact Mass255.07
IUPAC Name2-[propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
SMILESCCCN(CCO)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H12F3N3OS/c1-2-3-14(4-5-15)7-12-6(13-16-7)8(9,10)11/h15H,2-5H2,1H3
InChIKeyGFAVZUDSRZRBPC-UHFFFAOYSA-N
XLogP1.77
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methoxymethyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 75442119
2-[Propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304288
N'-(2-methoxyethyl)-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304489
3-[2-Methoxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanenitrile
CID 107304512
1-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 107304711
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-ol
CID 107305656
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-[2-Hydroxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305676

Frequently Asked Questions

What is the IUPAC name of 2-[propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
The IUPAC name of 2-[propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol (CID 107305679) is 2-[propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol.
What is the SMILES notation for 2-[propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
The canonical SMILES for 2-[propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol is CCCN(CCO)c1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-[propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
The InChIKey is GFAVZUDSRZRBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3OS/c1-2-3-14(4-5-15)7-12-6(13-16-7)8(9,10)11/h15H,2-5H2,1H3.
What are the key properties of 2-[propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
2-[propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol has a molecular weight of 255.26 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol is sourced from PubChem (CID 107305679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).