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

C15H23F2N3S — CID 123429598

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC1(C)CC1c1ncc(C(CN)N2CCC(F)(F)CC2)s1
InChIInChI=1S/C15H23F2N3S/c1-14(2)7-10(14)13-19-9-12(21-13)11(8-18)20-5-3-15(16,17)4-6-20/h9-11H,3-8,18H2,1-2H3
InChIKeyQXKILGQNROMDLG-UHFFFAOYSA-N
MW315.43 g/mol
LogP3.39
Rot. Bonds4

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

2-(4,4-difluoropiperidin-1-yl)-2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 123429598) has the molecular formula C15H23F2N3S and a molecular weight of 315.43 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID123429598
Molecular FormulaC15H23F2N3S
Molecular Weight315.43 g/mol
Exact Mass315.16
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC1(C)CC1c1ncc(C(CN)N2CCC(F)(F)CC2)s1
InChIInChI=1S/C15H23F2N3S/c1-14(2)7-10(14)13-19-9-12(21-13)11(8-18)20-5-3-15(16,17)4-6-20/h9-11H,3-8,18H2,1-2H3
InChIKeyQXKILGQNROMDLG-UHFFFAOYSA-N
XLogP3.39
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2,2,2-Trifluoro-1-(1,3-thiazol-5-yl)ethyl]piperidin-4-amine
CID 117721482
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
2-(4,4-Difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 123484882
2-[2-(4,4-Difluorocyclohexyl)-1,3-thiazol-5-yl]-2-(4,4-difluoropiperidin-1-yl)ethanamine
CID 124183601
2-(2-Cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine
CID 124183605
2-(4-fluoro-4-phosphanylpiperidin-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 134404942

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]ethanamine (CID 123429598) is 2-(4,4-difluoropiperidin-1-yl)-2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]ethanamine is CC1(C)CC1c1ncc(C(CN)N2CCC(F)(F)CC2)s1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is QXKILGQNROMDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3S/c1-14(2)7-10(14)13-19-9-12(21-13)11(8-18)20-5-3-15(16,17)4-6-20/h9-11H,3-8,18H2,1-2H3.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]ethanamine?
2-(4,4-difluoropiperidin-1-yl)-2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 315.43 g/mol, XLogP of 3.39, 4 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-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 123429598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).