(2R)-2-amino-N-(2,2,2-trifluoroethyl)propanethioamide

C5H9F3N2S — CID 86722617

IUPAC(2R)-2-amino-N-(2,2,2-trifluoroethyl)propanethioamide
SMILESC[C@@H](N)C(=S)NCC(F)(F)F
InChIInChI=1S/C5H9F3N2S/c1-3(9)4(11)10-2-5(6,7)8/h3H,2,9H2,1H3,(H,10,11)/t3-/m1/s1
InChIKeyUAEVZMCDAJZTGU-GSVOUGTGSA-N
MW186.20 g/mol
LogP0.81
Rot. Bonds2

About (2R)-2-amino-N-(2,2,2-trifluoroethyl)propanethioamide

(2R)-2-amino-N-(2,2,2-trifluoroethyl)propanethioamide (PubChem CID 86722617) has the molecular formula C5H9F3N2S and a molecular weight of 186.20 g/mol. Its IUPAC name is (2R)-2-amino-N-(2,2,2-trifluoroethyl)propanethioamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2,2,2-trifluoroethyl)propanethioamide
PubChem CID86722617
Molecular FormulaC5H9F3N2S
Molecular Weight186.20 g/mol
Exact Mass186.04
IUPAC Name(2R)-2-amino-N-(2,2,2-trifluoroethyl)propanethioamide
SMILESC[C@@H](N)C(=S)NCC(F)(F)F
InChIInChI=1S/C5H9F3N2S/c1-3(9)4(11)10-2-5(6,7)8/h3H,2,9H2,1H3,(H,10,11)/t3-/m1/s1
InChIKeyUAEVZMCDAJZTGU-GSVOUGTGSA-N
XLogP0.81
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-N-(2,2,2-trifluoroethyl)propanethioamide 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 (2R)-2-amino-N-(2,2,2-trifluoroethyl)propanethioamide?
The IUPAC name of (2R)-2-amino-N-(2,2,2-trifluoroethyl)propanethioamide (CID 86722617) is (2R)-2-amino-N-(2,2,2-trifluoroethyl)propanethioamide.
What is the SMILES notation for (2R)-2-amino-N-(2,2,2-trifluoroethyl)propanethioamide?
The canonical SMILES for (2R)-2-amino-N-(2,2,2-trifluoroethyl)propanethioamide is C[C@@H](N)C(=S)NCC(F)(F)F.
What is the InChIKey of (2R)-2-amino-N-(2,2,2-trifluoroethyl)propanethioamide?
The InChIKey is UAEVZMCDAJZTGU-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H9F3N2S/c1-3(9)4(11)10-2-5(6,7)8/h3H,2,9H2,1H3,(H,10,11)/t3-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2,2,2-trifluoroethyl)propanethioamide?
(2R)-2-amino-N-(2,2,2-trifluoroethyl)propanethioamide has a molecular weight of 186.20 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2,2,2-trifluoroethyl)propanethioamide is sourced from PubChem (CID 86722617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).