N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine

C11H17F3N2OS — CID 103150555

IUPACN-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CCOCC(F)(F)F)nc1C
InChIInChI=1S/C11H17F3N2OS/c1-3-15-6-9-8(2)16-10(18-9)4-5-17-7-11(12,13)14/h15H,3-7H2,1-2H3
InChIKeyUFTSGQIAWCPMRH-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.68
Rot. Bonds7

About N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine

N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 103150555) has the molecular formula C11H17F3N2OS and a molecular weight of 282.33 g/mol. Its IUPAC name is N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID103150555
Molecular FormulaC11H17F3N2OS
Molecular Weight282.33 g/mol
Exact Mass282.10
IUPAC NameN-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CCOCC(F)(F)F)nc1C
InChIInChI=1S/C11H17F3N2OS/c1-3-15-6-9-8(2)16-10(18-9)4-5-17-7-11(12,13)14/h15H,3-7H2,1-2H3
InChIKeyUFTSGQIAWCPMRH-UHFFFAOYSA-N
XLogP2.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.68
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 N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine (CID 103150555) is N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(CCOCC(F)(F)F)nc1C.
What is the InChIKey of N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is UFTSGQIAWCPMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2OS/c1-3-15-6-9-8(2)16-10(18-9)4-5-17-7-11(12,13)14/h15H,3-7H2,1-2H3.
What are the key properties of N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 282.33 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 103150555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).