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

C10H15F2N3S — CID 118297278

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESNCC(c1cncs1)N1CCC(F)(F)CC1
InChIInChI=1S/C10H15F2N3S/c11-10(12)1-3-15(4-2-10)8(5-13)9-6-14-7-16-9/h6-8H,1-5,13H2
InChIKeyDHEUAYXUSISYIM-UHFFFAOYSA-N
MW247.31 g/mol
LogP1.87
Rot. Bonds3

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

2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 118297278) has the molecular formula C10H15F2N3S and a molecular weight of 247.31 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID118297278
Molecular FormulaC10H15F2N3S
Molecular Weight247.31 g/mol
Exact Mass247.10
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESNCC(c1cncs1)N1CCC(F)(F)CC1
InChIInChI=1S/C10H15F2N3S/c11-10(12)1-3-15(4-2-10)8(5-13)9-6-14-7-16-9/h6-8H,1-5,13H2
InChIKeyDHEUAYXUSISYIM-UHFFFAOYSA-N
XLogP1.87
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine (CID 118297278) is 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine is NCC(c1cncs1)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is DHEUAYXUSISYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3S/c11-10(12)1-3-15(4-2-10)8(5-13)9-6-14-7-16-9/h6-8H,1-5,13H2.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine?
2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 247.31 g/mol, XLogP of 1.87, 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-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 118297278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).