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

C8H11F3N2OS — CID 103150149

IUPAC[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methanamine
SMILESNCc1csc(CCOCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N2OS/c9-8(10,11)5-14-2-1-7-13-6(3-12)4-15-7/h4H,1-3,5,12H2
InChIKeyVIAADFMPZCXPIC-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.72
Rot. Bonds5

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

[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methanamine (PubChem CID 103150149) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is [2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methanamine
PubChem CID103150149
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methanamine
SMILESNCc1csc(CCOCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N2OS/c9-8(10,11)5-14-2-1-7-13-6(3-12)4-15-7/h4H,1-3,5,12H2
InChIKeyVIAADFMPZCXPIC-UHFFFAOYSA-N
XLogP1.72
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methanamine (CID 103150149) is [2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methanamine is NCc1csc(CCOCC(F)(F)F)n1.
What is the InChIKey of [2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methanamine?
The InChIKey is VIAADFMPZCXPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c9-8(10,11)5-14-2-1-7-13-6(3-12)4-15-7/h4H,1-3,5,12H2.
What are the key properties of [2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methanamine?
[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methanamine has a molecular weight of 240.25 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 103150149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).