2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol

C8H12F3N3OS — CID 107484410

IUPAC2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCc1nsc(N(CCO)CC(F)(F)F)n1
InChIInChI=1S/C8H12F3N3OS/c1-2-6-12-7(16-13-6)14(3-4-15)5-8(9,10)11/h15H,2-5H2,1H3
InChIKeyRNZUUXFTSCCQAB-UHFFFAOYSA-N
MW255.26 g/mol
LogP1.46
Rot. Bonds5

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

2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107484410) has the molecular formula C8H12F3N3OS and a molecular weight of 255.26 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107484410
Molecular FormulaC8H12F3N3OS
Molecular Weight255.26 g/mol
Exact Mass255.07
IUPAC Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCc1nsc(N(CCO)CC(F)(F)F)n1
InChIInChI=1S/C8H12F3N3OS/c1-2-6-12-7(16-13-6)14(3-4-15)5-8(9,10)11/h15H,2-5H2,1H3
InChIKeyRNZUUXFTSCCQAB-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
CID 115886093
2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484546
2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107484473
2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495546
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484584
N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494312
2-[(1-ethylimidazol-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484406
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]propanethioamide
CID 65271838
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid
CID 65270154
2-[(3-methylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484362
2-[(6-amino-2-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495365
2-[(3,6-dichloro-1,2,4-triazin-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107482177

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107484410) is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol is CCc1nsc(N(CCO)CC(F)(F)F)n1.
What is the InChIKey of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is RNZUUXFTSCCQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3OS/c1-2-6-12-7(16-13-6)14(3-4-15)5-8(9,10)11/h15H,2-5H2,1H3.
What are the key properties of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 255.26 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107484410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).