N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine

C11H17F3N2OS — CID 103476019

IUPACN-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1sc(COCC(F)(F)F)nc1C
InChIInChI=1S/C11H17F3N2OS/c1-4-15-7(2)10-8(3)16-9(18-10)5-17-6-11(12,13)14/h7,15H,4-6H2,1-3H3
InChIKeyYCXOKQCZRMYWBE-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.20
Rot. Bonds6

About N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine

N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 103476019) has the molecular formula C11H17F3N2OS and a molecular weight of 282.33 g/mol. Its IUPAC name is N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID103476019
Molecular FormulaC11H17F3N2OS
Molecular Weight282.33 g/mol
Exact Mass282.10
IUPAC NameN-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1sc(COCC(F)(F)F)nc1C
InChIInChI=1S/C11H17F3N2OS/c1-4-15-7(2)10-8(3)16-9(18-10)5-17-6-11(12,13)14/h7,15H,4-6H2,1-3H3
InChIKeyYCXOKQCZRMYWBE-UHFFFAOYSA-N
XLogP3.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine (CID 103476019) is N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine is CCNC(C)c1sc(COCC(F)(F)F)nc1C.
What is the InChIKey of N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is YCXOKQCZRMYWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2OS/c1-4-15-7(2)10-8(3)16-9(18-10)5-17-6-11(12,13)14/h7,15H,4-6H2,1-3H3.
What are the key properties of N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine?
N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 282.33 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 103476019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).