2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine

C11H17F3N2OS — CID 106783691

IUPAC2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine
SMILESCCCC(OCC)C(N)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H17F3N2OS/c1-3-5-7(17-4-2)9(15)8-6-16-10(18-8)11(12,13)14/h6-7,9H,3-5,15H2,1-2H3
InChIKeySIAZRJLKKXBKME-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.37
Rot. Bonds6

About 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine

2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine (PubChem CID 106783691) has the molecular formula C11H17F3N2OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine
PubChem CID106783691
Molecular FormulaC11H17F3N2OS
Molecular Weight282.33 g/mol
Exact Mass282.10
IUPAC Name2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine
SMILESCCCC(OCC)C(N)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H17F3N2OS/c1-3-5-7(17-4-2)9(15)8-6-16-10(18-8)11(12,13)14/h6-7,9H,3-5,15H2,1-2H3
InChIKeySIAZRJLKKXBKME-UHFFFAOYSA-N
XLogP3.37
TPSA48.14 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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783793
[2-ethoxy-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propyl]hydrazine
CID 106787056
N-ethyl-2,2-difluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785042
2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783287
2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one
CID 106784643
4-ethoxy-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106786273
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diol
CID 106782928
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785123
N-[2,2-dimethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783469
(5-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785774
3-methylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
CID 106782108
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethylhydrazine
CID 106786712

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine?
The IUPAC name of 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine (CID 106783691) is 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine?
The canonical SMILES for 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine is CCCC(OCC)C(N)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine?
The InChIKey is SIAZRJLKKXBKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2OS/c1-3-5-7(17-4-2)9(15)8-6-16-10(18-8)11(12,13)14/h6-7,9H,3-5,15H2,1-2H3.
What are the key properties of 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine?
2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine has a molecular weight of 282.33 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 106783691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).