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

C10H15F3N2OS — CID 55262028

IUPAC1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCc1nc(C(C)NCCOCC(F)(F)F)cs1
InChIInChI=1S/C10H15F3N2OS/c1-7(9-5-17-8(2)15-9)14-3-4-16-6-10(11,12)13/h5,7,14H,3-4,6H2,1-2H3
InChIKeyCTGFLSPURILCED-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.68
Rot. Bonds6

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

1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (PubChem CID 55262028) has the molecular formula C10H15F3N2OS and a molecular weight of 268.30 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
PubChem CID55262028
Molecular FormulaC10H15F3N2OS
Molecular Weight268.30 g/mol
Exact Mass268.09
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCc1nc(C(C)NCCOCC(F)(F)F)cs1
InChIInChI=1S/C10H15F3N2OS/c1-7(9-5-17-8(2)15-9)14-3-4-16-6-10(11,12)13/h5,7,14H,3-4,6H2,1-2H3
InChIKeyCTGFLSPURILCED-UHFFFAOYSA-N
XLogP2.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
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 1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (CID 55262028) is 1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is Cc1nc(C(C)NCCOCC(F)(F)F)cs1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The InChIKey is CTGFLSPURILCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2OS/c1-7(9-5-17-8(2)15-9)14-3-4-16-6-10(11,12)13/h5,7,14H,3-4,6H2,1-2H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine has a molecular weight of 268.30 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 55262028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).