2,2,2-trifluoro-N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine

C10H15F3N2OS — CID 113461233

IUPAC2,2,2-trifluoro-N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCOC(C)(C)c1nc(CNCC(F)(F)F)cs1
InChIInChI=1S/C10H15F3N2OS/c1-9(2,16-3)8-15-7(5-17-8)4-14-6-10(11,12)13/h5,14H,4,6H2,1-3H3
InChIKeyHNDAKDKDQBFANU-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.68
Rot. Bonds5

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

2,2,2-trifluoro-N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine (PubChem CID 113461233) has the molecular formula C10H15F3N2OS and a molecular weight of 268.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
PubChem CID113461233
Molecular FormulaC10H15F3N2OS
Molecular Weight268.30 g/mol
Exact Mass268.09
IUPAC Name2,2,2-trifluoro-N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCOC(C)(C)c1nc(CNCC(F)(F)F)cs1
InChIInChI=1S/C10H15F3N2OS/c1-9(2,16-3)8-15-7(5-17-8)4-14-6-10(11,12)13/h5,14H,4,6H2,1-3H3
InChIKeyHNDAKDKDQBFANU-UHFFFAOYSA-N
XLogP2.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine (CID 113461233) is 2,2,2-trifluoro-N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine is COC(C)(C)c1nc(CNCC(F)(F)F)cs1.
What is the InChIKey of 2,2,2-trifluoro-N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The InChIKey is HNDAKDKDQBFANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2OS/c1-9(2,16-3)8-15-7(5-17-8)4-14-6-10(11,12)13/h5,14H,4,6H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
2,2,2-trifluoro-N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine has a molecular weight of 268.30 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 113461233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).