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

C11H17F3N2O2S — CID 103151291

IUPAC2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1csc(CCOCC(F)(F)F)n1
InChIInChI=1S/C11H17F3N2O2S/c1-17-5-3-15-6-9-7-19-10(16-9)2-4-18-8-11(12,13)14/h7,15H,2-6,8H2,1H3
InChIKeyJFANHQJLZDYIOD-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.00
Rot. Bonds9

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

2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine (PubChem CID 103151291) has the molecular formula C11H17F3N2O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine
PubChem CID103151291
Molecular FormulaC11H17F3N2O2S
Molecular Weight298.33 g/mol
Exact Mass298.10
IUPAC Name2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1csc(CCOCC(F)(F)F)n1
InChIInChI=1S/C11H17F3N2O2S/c1-17-5-3-15-6-9-7-19-10(16-9)2-4-18-8-11(12,13)14/h7,15H,2-6,8H2,1H3
InChIKeyJFANHQJLZDYIOD-UHFFFAOYSA-N
XLogP2.00
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 53551612
1-{[2-(1-Ethoxyethyl)-1,3-thiazol-4-yl]methyl}piperazine
CID 54595740
1-{[2-(1-Methoxyethyl)-1,3-thiazol-4-yl]methyl}-1,4-diazepane
CID 71755634
1-{[2-(1-Methoxyethyl)-1,3-thiazol-4-yl]methyl}piperazine
CID 71755635
4-[[4-(2,2-Difluoroethyl)piperazin-1-yl]methyl]-2-(1-ethoxyethyl)-1,3-thiazole
CID 72008387
1-(4-ethylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 72043649
3-(4-Methyl-1,3-thiazol-2-yl)morpholine
CID 75355395
{[2-(1-Ethoxyethyl)-1,3-thiazol-4-yl]methyl}(methyl)amine
CID 54595767
{[2-(1-Methoxyethyl)-1,3-thiazol-4-yl]methyl}(methyl)amine
CID 71755475
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine
CID 71885865
N-[(2-Propyl-1,3-thiazol-4-YL)methyl]morpholine-4-sulfonamide
CID 122556075
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 45823587

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine (CID 103151291) is 2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine is COCCNCc1csc(CCOCC(F)(F)F)n1.
What is the InChIKey of 2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine?
The InChIKey is JFANHQJLZDYIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2S/c1-17-5-3-15-6-9-7-19-10(16-9)2-4-18-8-11(12,13)14/h7,15H,2-6,8H2,1H3.
What are the key properties of 2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine has a molecular weight of 298.33 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 103151291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).