2,2,2-trifluoro-N-(1,3-thiazol-2-yl)ethanethioamide

C5H3F3N2S2 — CID 5376017

IUPAC2,2,2-trifluoro-N-(1,3-thiazol-2-yl)ethanethioamide
SMILESFC(F)(F)C(=S)Nc1nccs1
InChIInChI=1S/C5H3F3N2S2/c6-5(7,8)3(11)10-4-9-1-2-12-4/h1-2H,(H,9,10,11)
InChIKeyAIWQBESGLGFMKE-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.44
Rot. Bonds1

About 2,2,2-trifluoro-N-(1,3-thiazol-2-yl)ethanethioamide

2,2,2-trifluoro-N-(1,3-thiazol-2-yl)ethanethioamide (PubChem CID 5376017) has the molecular formula C5H3F3N2S2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1,3-thiazol-2-yl)ethanethioamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1,3-thiazol-2-yl)ethanethioamide
PubChem CID5376017
Molecular FormulaC5H3F3N2S2
Molecular Weight212.22 g/mol
Exact Mass211.97
IUPAC Name2,2,2-trifluoro-N-(1,3-thiazol-2-yl)ethanethioamide
SMILESFC(F)(F)C(=S)Nc1nccs1
InChIInChI=1S/C5H3F3N2S2/c6-5(7,8)3(11)10-4-9-1-2-12-4/h1-2H,(H,9,10,11)
InChIKeyAIWQBESGLGFMKE-UHFFFAOYSA-N
XLogP2.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-(1,3-thiazol-2-yl)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-trifluoro-N-(1,3-thiazol-2-yl)ethanethioamide?
The IUPAC name of 2,2,2-trifluoro-N-(1,3-thiazol-2-yl)ethanethioamide (CID 5376017) is 2,2,2-trifluoro-N-(1,3-thiazol-2-yl)ethanethioamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1,3-thiazol-2-yl)ethanethioamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1,3-thiazol-2-yl)ethanethioamide is FC(F)(F)C(=S)Nc1nccs1.
What is the InChIKey of 2,2,2-trifluoro-N-(1,3-thiazol-2-yl)ethanethioamide?
The InChIKey is AIWQBESGLGFMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2S2/c6-5(7,8)3(11)10-4-9-1-2-12-4/h1-2H,(H,9,10,11).
What are the key properties of 2,2,2-trifluoro-N-(1,3-thiazol-2-yl)ethanethioamide?
2,2,2-trifluoro-N-(1,3-thiazol-2-yl)ethanethioamide has a molecular weight of 212.22 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1,3-thiazol-2-yl)ethanethioamide is sourced from PubChem (CID 5376017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).