2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine

C11H17F3N2OS — CID 102929379

IUPAC2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine
SMILESCCOC(C)(C)c1nc(C(C)(N)C(F)(F)F)cs1
InChIInChI=1S/C11H17F3N2OS/c1-5-17-9(2,3)8-16-7(6-18-8)10(4,15)11(12,13)14/h6H,5,15H2,1-4H3
InChIKeyHUFIIYOKIJLZBK-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.15
Rot. Bonds4

About 2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine

2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine (PubChem CID 102929379) has the molecular formula C11H17F3N2OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine
PubChem CID102929379
Molecular FormulaC11H17F3N2OS
Molecular Weight282.33 g/mol
Exact Mass282.10
IUPAC Name2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine
SMILESCCOC(C)(C)c1nc(C(C)(N)C(F)(F)F)cs1
InChIInChI=1S/C11H17F3N2OS/c1-5-17-9(2,3)8-16-7(6-18-8)10(4,15)11(12,13)14/h6H,5,15H2,1-4H3
InChIKeyHUFIIYOKIJLZBK-UHFFFAOYSA-N
XLogP3.15
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 55262028
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 80306486
1,1,1-Trifluoro-2-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]propan-2-amine
CID 102929428
N-[[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine
CID 102929468
2-[2-(2-Ethoxybutan-2-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine
CID 102929474
N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine
CID 102929512
2-[2-(3-Ethoxypentan-3-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine
CID 102929520
1,1,1-Trifluoro-2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]propan-2-amine
CID 102929566
2-[2-(1-Ethoxycyclopentyl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine
CID 102929609
1,1,1-Trifluoro-2-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine
CID 102929654
N-[2-(2,2-difluoroethoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 102978106
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine
CID 103081109

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine (CID 102929379) is 2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine is CCOC(C)(C)c1nc(C(C)(N)C(F)(F)F)cs1.
What is the InChIKey of 2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine?
The InChIKey is HUFIIYOKIJLZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2OS/c1-5-17-9(2,3)8-16-7(6-18-8)10(4,15)11(12,13)14/h6H,5,15H2,1-4H3.
What are the key properties of 2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine?
2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine has a molecular weight of 282.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 102929379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).