N-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine

C8H11F3N2OS — CID 63827313

IUPACN-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCc1cncs1
InChIInChI=1S/C8H11F3N2OS/c9-8(10,11)5-14-2-1-12-3-7-4-13-6-15-7/h4,6,12H,1-3,5H2
InChIKeyFFTCPKQMIDVFCL-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.81
Rot. Bonds6

About N-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine

N-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 63827313) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is N-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID63827313
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC NameN-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCc1cncs1
InChIInChI=1S/C8H11F3N2OS/c9-8(10,11)5-14-2-1-12-3-7-4-13-6-15-7/h4,6,12H,1-3,5H2
InChIKeyFFTCPKQMIDVFCL-UHFFFAOYSA-N
XLogP1.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.81
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

2-[[2-(Trifluoromethyl)-1,3-thiazol-5-yl]methylamino]ethanethiol
CID 21698294
N'-[[2-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70457990
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-(difluoromethylsulfanyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458568
4-[[2-(2-Fluoroethynyl)-1,3-thiazol-5-yl]methyl]morpholine
CID 143305266
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55260490
N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61392600
N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 61392601
1,1,1-Trifluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 61530214
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61686940
N,N-diethyl-5-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]-1,3-thiazol-2-amine
CID 61809300

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 63827313) is N-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine is FC(F)(F)COCCNCc1cncs1.
What is the InChIKey of N-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is FFTCPKQMIDVFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c9-8(10,11)5-14-2-1-12-3-7-4-13-6-15-7/h4,6,12H,1-3,5H2.
What are the key properties of N-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 240.25 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 63827313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).