4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one

C8H11F3N2O2S — CID 106380681

IUPAC4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCCOCC(F)(F)F)cs1
InChIInChI=1S/C8H11F3N2O2S/c9-8(10,11)5-15-2-1-12-3-6-4-16-7(14)13-6/h4,12H,1-3,5H2,(H,13,14)
InChIKeyQLRHGHTUCFIJTM-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.10
Rot. Bonds6

About 4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one

4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380681) has the molecular formula C8H11F3N2O2S and a molecular weight of 256.25 g/mol. Its IUPAC name is 4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380681
Molecular FormulaC8H11F3N2O2S
Molecular Weight256.25 g/mol
Exact Mass256.05
IUPAC Name4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCCOCC(F)(F)F)cs1
InChIInChI=1S/C8H11F3N2O2S/c9-8(10,11)5-15-2-1-12-3-6-4-16-7(14)13-6/h4,12H,1-3,5H2,(H,13,14)
InChIKeyQLRHGHTUCFIJTM-UHFFFAOYSA-N
XLogP1.10
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one 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 4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one (CID 106380681) is 4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCCOCC(F)(F)F)cs1.
What is the InChIKey of 4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is QLRHGHTUCFIJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2S/c9-8(10,11)5-15-2-1-12-3-6-4-16-7(14)13-6/h4,12H,1-3,5H2,(H,13,14).
What are the key properties of 4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 256.25 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).