2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanethioamide

C6H11F3N2OS — CID 107479952

IUPAC2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanethioamide
SMILESNC(=S)CN(CCO)CC(F)(F)F
InChIInChI=1S/C6H11F3N2OS/c7-6(8,9)4-11(1-2-12)3-5(10)13/h12H,1-4H2,(H2,10,13)
InChIKeyAXQGAMFLBCLSGQ-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.13
Rot. Bonds5

About 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanethioamide

2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanethioamide (PubChem CID 107479952) has the molecular formula C6H11F3N2OS and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanethioamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanethioamide
PubChem CID107479952
Molecular FormulaC6H11F3N2OS
Molecular Weight216.23 g/mol
Exact Mass216.05
IUPAC Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanethioamide
SMILESNC(=S)CN(CCO)CC(F)(F)F
InChIInChI=1S/C6H11F3N2OS/c7-6(8,9)4-11(1-2-12)3-5(10)13/h12H,1-4H2,(H2,10,13)
InChIKeyAXQGAMFLBCLSGQ-UHFFFAOYSA-N
XLogP0.13
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[Methyl-[2-(trifluoromethoxy)ethyl]amino]ethanethioamide
CID 65805198
2-[Ethyl-[2-(trifluoromethoxy)ethyl]amino]ethanethioamide
CID 65805199
2-[2-Aminoethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 104859142
2-[2-Aminoethyl(2,2-difluoroethyl)amino]ethanol
CID 107478674
3-[2,2-Difluoroethyl(2-hydroxyethyl)amino]propanethioamide
CID 107479909
2-[2,2-Difluoroethyl(2-hydroxyethyl)amino]ethanethioamide
CID 107479914
2-[2,2-Difluoroethyl(2-hydroxyethyl)amino]propanethioamide
CID 107479918
3-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]propanethioamide
CID 107479946
2-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]propanethioamide
CID 107479956
4-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]butanethioamide
CID 107479967
2-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]butanethioamide
CID 107479969
(2-Amino-2-sulfanylideneethyl)-(2-hydroxyethyl)-dimethylazanium
CID 146629325

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanethioamide?
The IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanethioamide (CID 107479952) is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanethioamide.
What is the SMILES notation for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanethioamide?
The canonical SMILES for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanethioamide is NC(=S)CN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanethioamide?
The InChIKey is AXQGAMFLBCLSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2OS/c7-6(8,9)4-11(1-2-12)3-5(10)13/h12H,1-4H2,(H2,10,13).
What are the key properties of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanethioamide?
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanethioamide has a molecular weight of 216.23 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanethioamide is sourced from PubChem (CID 107479952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).