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

C10H15F3N2OS — CID 55260490

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCc1ncc(CNCCOCC(F)(F)F)s1
InChIInChI=1S/C10H15F3N2OS/c1-2-9-15-6-8(17-9)5-14-3-4-16-7-10(11,12)13/h6,14H,2-5,7H2,1H3
InChIKeyYMYLNZBDGDJJQX-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.37
Rot. Bonds7

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

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 55260490) has the molecular formula C10H15F3N2OS and a molecular weight of 268.30 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID55260490
Molecular FormulaC10H15F3N2OS
Molecular Weight268.30 g/mol
Exact Mass268.09
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCc1ncc(CNCCOCC(F)(F)F)s1
InChIInChI=1S/C10H15F3N2OS/c1-2-9-15-6-8(17-9)5-14-3-4-16-7-10(11,12)13/h6,14H,2-5,7H2,1H3
InChIKeyYMYLNZBDGDJJQX-UHFFFAOYSA-N
XLogP2.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.37
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
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-prop-2-ynoxyethanamine
CID 138032714
2,2,2-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60776622
[1-Amino-2-(5-methyl-1,3-thiazol-2-yl)ethyl] 2,2,2-trifluoroacetate
CID 69714138
N'-[[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458327
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
2,2,2-trifluoro-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]ethanamine
CID 156060729
5-(Difluoromethyl)-2-(methoxymethyl)-1,3-thiazole
CID 169595106

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 55260490) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is CCc1ncc(CNCCOCC(F)(F)F)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is YMYLNZBDGDJJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2OS/c1-2-9-15-6-8(17-9)5-14-3-4-16-7-10(11,12)13/h6,14H,2-5,7H2,1H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 268.30 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 55260490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).