N-ethyl-3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine

C11H17F3N2S — CID 106783036

IUPACN-ethyl-3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
SMILESCCNC(CC(C)C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H17F3N2S/c1-4-15-8(5-7(2)3)9-6-16-10(17-9)11(12,13)14/h6-8,15H,4-5H2,1-3H3
InChIKeyKCFIUGYTCDGQBY-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.86
Rot. Bonds5

About N-ethyl-3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine

N-ethyl-3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine (PubChem CID 106783036) has the molecular formula C11H17F3N2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
PubChem CID106783036
Molecular FormulaC11H17F3N2S
Molecular Weight266.33 g/mol
Exact Mass266.11
IUPAC NameN-ethyl-3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
SMILESCCNC(CC(C)C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H17F3N2S/c1-4-15-8(5-7(2)3)9-6-16-10(17-9)11(12,13)14/h6-8,15H,4-5H2,1-3H3
InChIKeyKCFIUGYTCDGQBY-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-amine hydrochloride
CID 122163992
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-amine
CID 19767930
5-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 68055880
1-Methyl-2-(1,3-thiazol-5-yl)-2-(trifluoromethyl)piperidin-4-amine
CID 117721481
1-Methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-amine
CID 117721483
2-(4,4-Difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 118297235
2-(4,4-Difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)ethanamine
CID 118302995
2-(4,4-Difluoro-2-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 118302998
2-(2-Cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine
CID 118303018
2-(4,4-Difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethanamine
CID 118303036
2-(2-Tert-butyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine
CID 118303039
(R)-1-(2-(Trifluoromethyl)thiazol-5-yl)ethan-1-amine
CID 124585017

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
The IUPAC name of N-ethyl-3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine (CID 106783036) is N-ethyl-3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine is CCNC(CC(C)C)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-ethyl-3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
The InChIKey is KCFIUGYTCDGQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2S/c1-4-15-8(5-7(2)3)9-6-16-10(17-9)11(12,13)14/h6-8,15H,4-5H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
N-ethyl-3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine has a molecular weight of 266.33 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine is sourced from PubChem (CID 106783036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).