4-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine

C12H17F3N2O2S — CID 103151292

IUPAC4-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine
SMILESNC1(c2csc(CCOCC(F)(F)F)n2)CCOCC1
InChIInChI=1S/C12H17F3N2O2S/c13-12(14,15)8-19-4-1-10-17-9(7-20-10)11(16)2-5-18-6-3-11/h7H,1-6,8,16H2
InChIKeyOKFKHYASDOXDEA-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.23
Rot. Bonds5

About 4-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine

4-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine (PubChem CID 103151292) has the molecular formula C12H17F3N2O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is 4-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine.

Molecular Properties

Compound Name4-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine
PubChem CID103151292
Molecular FormulaC12H17F3N2O2S
Molecular Weight310.34 g/mol
Exact Mass310.10
IUPAC Name4-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine
SMILESNC1(c2csc(CCOCC(F)(F)F)n2)CCOCC1
InChIInChI=1S/C12H17F3N2O2S/c13-12(14,15)8-19-4-1-10-17-9(7-20-10)11(16)2-5-18-6-3-11/h7H,1-6,8,16H2
InChIKeyOKFKHYASDOXDEA-UHFFFAOYSA-N
XLogP2.23
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine 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-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine?
The IUPAC name of 4-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine (CID 103151292) is 4-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine.
What is the SMILES notation for 4-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine?
The canonical SMILES for 4-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine is NC1(c2csc(CCOCC(F)(F)F)n2)CCOCC1.
What is the InChIKey of 4-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine?
The InChIKey is OKFKHYASDOXDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2S/c13-12(14,15)8-19-4-1-10-17-9(7-20-10)11(16)2-5-18-6-3-11/h7H,1-6,8,16H2.
What are the key properties of 4-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine?
4-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine has a molecular weight of 310.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine is sourced from PubChem (CID 103151292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).