2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine

C11H14F5N3S — CID 123484882

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESNCC(c1cnc(C(F)(F)F)s1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H14F5N3S/c12-10(13)1-3-19(4-2-10)7(5-17)8-6-18-9(20-8)11(14,15)16/h6-7H,1-5,17H2
InChIKeyCQRMSUMQGJSXEO-UHFFFAOYSA-N
MW315.31 g/mol
LogP2.89
Rot. Bonds3

About 2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine

2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 123484882) has the molecular formula C11H14F5N3S and a molecular weight of 315.31 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID123484882
Molecular FormulaC11H14F5N3S
Molecular Weight315.31 g/mol
Exact Mass315.08
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESNCC(c1cnc(C(F)(F)F)s1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H14F5N3S/c12-10(13)1-3-19(4-2-10)7(5-17)8-6-18-9(20-8)11(14,15)16/h6-7H,1-5,17H2
InChIKeyCQRMSUMQGJSXEO-UHFFFAOYSA-N
XLogP2.89
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
1-[2,2,2-Trifluoro-1-(1,3-thiazol-5-yl)ethyl]piperidin-4-amine
CID 117721482
1-Methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-amine
CID 117721483
2-(4,4-Difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile
CID 118297229
2-(4,4-Difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 118297235
2-(4,4-Difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 118297278
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

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (CID 123484882) is 2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is NCC(c1cnc(C(F)(F)F)s1)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is CQRMSUMQGJSXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F5N3S/c12-10(13)1-3-19(4-2-10)7(5-17)8-6-18-9(20-8)11(14,15)16/h6-7H,1-5,17H2.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 315.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 123484882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).