2-methoxy-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine

C8H11F3N2OS — CID 106783240

IUPAC2-methoxy-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H11F3N2OS/c1-14-3-2-12-4-6-5-13-7(15-6)8(9,10)11/h5,12H,2-4H2,1H3
InChIKeyYTSAJYKMFNNDOG-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.90
Rot. Bonds5

About 2-methoxy-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine

2-methoxy-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 106783240) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID106783240
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name2-methoxy-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H11F3N2OS/c1-14-3-2-12-4-6-5-13-7(15-6)8(9,10)11/h5,12H,2-4H2,1H3
InChIKeyYTSAJYKMFNNDOG-UHFFFAOYSA-N
XLogP1.90
TPSA34.15 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 ≤ 51.90
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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Related Compounds

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 53553124
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 72043646
2-[[2-(Trifluoromethyl)-1,3-thiazol-5-yl]methylamino]ethanethiol
CID 21698294
2,2,2-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60776622
N'-[[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458327
N'-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458500
N'-[[2-(trifluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458519
N'-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458538
N',N'-dimethyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 121378930
3-[[2-(Trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,6-dihydro-1,3,4-oxadiazin-6-amine
CID 122642788
4-[[2-(2-Fluoroethynyl)-1,3-thiazol-5-yl]methyl]morpholine
CID 143305266
2,2,2-trifluoro-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]ethanamine
CID 156060729

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 106783240) is 2-methoxy-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is COCCNCc1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-methoxy-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is YTSAJYKMFNNDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-14-3-2-12-4-6-5-13-7(15-6)8(9,10)11/h5,12H,2-4H2,1H3.
What are the key properties of 2-methoxy-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
2-methoxy-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 240.25 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 106783240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).