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

C14H21F2N3S — CID 118303018

IUPAC2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine
SMILESNCC(c1cnc(C2CCC2)s1)N1CCC(F)(F)CC1
InChIInChI=1S/C14H21F2N3S/c15-14(16)4-6-19(7-5-14)11(8-17)12-9-18-13(20-12)10-2-1-3-10/h9-11H,1-8,17H2
InChIKeyPQFNXUYNDRTVDX-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.14
Rot. Bonds4

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

2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine (PubChem CID 118303018) has the molecular formula C14H21F2N3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine
PubChem CID118303018
Molecular FormulaC14H21F2N3S
Molecular Weight301.41 g/mol
Exact Mass301.14
IUPAC Name2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine
SMILESNCC(c1cnc(C2CCC2)s1)N1CCC(F)(F)CC1
InChIInChI=1S/C14H21F2N3S/c15-14(16)4-6-19(7-5-14)11(8-17)12-9-18-13(20-12)10-2-1-3-10/h9-11H,1-8,17H2
InChIKeyPQFNXUYNDRTVDX-UHFFFAOYSA-N
XLogP3.14
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine?
The IUPAC name of 2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine (CID 118303018) is 2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine is NCC(c1cnc(C2CCC2)s1)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine?
The InChIKey is PQFNXUYNDRTVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3S/c15-14(16)4-6-19(7-5-14)11(8-17)12-9-18-13(20-12)10-2-1-3-10/h9-11H,1-8,17H2.
What are the key properties of 2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine?
2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine has a molecular weight of 301.41 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine is sourced from PubChem (CID 118303018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).