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

C6H12F2N2OS — CID 107479914

IUPAC2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanethioamide
SMILESNC(=S)CN(CCO)CC(F)F
InChIInChI=1S/C6H12F2N2OS/c7-5(8)3-10(1-2-11)4-6(9)12/h5,11H,1-4H2,(H2,9,12)
InChIKeyKRHIZTRNLYCZLA-UHFFFAOYSA-N
MW198.24 g/mol
LogP-0.17
Rot. Bonds6

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

2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanethioamide (PubChem CID 107479914) has the molecular formula C6H12F2N2OS and a molecular weight of 198.24 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanethioamide.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanethioamide
PubChem CID107479914
Molecular FormulaC6H12F2N2OS
Molecular Weight198.24 g/mol
Exact Mass198.06
IUPAC Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanethioamide
SMILESNC(=S)CN(CCO)CC(F)F
InChIInChI=1S/C6H12F2N2OS/c7-5(8)3-10(1-2-11)4-6(9)12/h5,11H,1-4H2,(H2,9,12)
InChIKeyKRHIZTRNLYCZLA-UHFFFAOYSA-N
XLogP-0.17
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2,2-difluoroethyl(2-hydroxyethyl)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

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanethioamide?
The IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanethioamide (CID 107479914) is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanethioamide.
What is the SMILES notation for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanethioamide?
The canonical SMILES for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanethioamide is NC(=S)CN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanethioamide?
The InChIKey is KRHIZTRNLYCZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2OS/c7-5(8)3-10(1-2-11)4-6(9)12/h5,11H,1-4H2,(H2,9,12).
What are the key properties of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanethioamide?
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanethioamide has a molecular weight of 198.24 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanethioamide is sourced from PubChem (CID 107479914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).