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

C14H23F2N3S — CID 118303039

IUPAC2-(2-tert-butyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine
SMILESCC(C)(C)c1ncc(C(CN)N2CCC(F)(F)CC2)s1
InChIInChI=1S/C14H23F2N3S/c1-13(2,3)12-18-9-11(20-12)10(8-17)19-6-4-14(15,16)5-7-19/h9-10H,4-8,17H2,1-3H3
InChIKeyZAMDXBXXWKITKZ-UHFFFAOYSA-N
MW303.42 g/mol
LogP3.17
Rot. Bonds3

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

2-(2-tert-butyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine (PubChem CID 118303039) has the molecular formula C14H23F2N3S and a molecular weight of 303.42 g/mol. Its IUPAC name is 2-(2-tert-butyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-tert-butyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine
PubChem CID118303039
Molecular FormulaC14H23F2N3S
Molecular Weight303.42 g/mol
Exact Mass303.16
IUPAC Name2-(2-tert-butyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine
SMILESCC(C)(C)c1ncc(C(CN)N2CCC(F)(F)CC2)s1
InChIInChI=1S/C14H23F2N3S/c1-13(2,3)12-18-9-11(20-12)10(8-17)19-6-4-14(15,16)5-7-19/h9-10H,4-8,17H2,1-3H3
InChIKeyZAMDXBXXWKITKZ-UHFFFAOYSA-N
XLogP3.17
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine?
The IUPAC name of 2-(2-tert-butyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine (CID 118303039) is 2-(2-tert-butyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(2-tert-butyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(2-tert-butyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine is CC(C)(C)c1ncc(C(CN)N2CCC(F)(F)CC2)s1.
What is the InChIKey of 2-(2-tert-butyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine?
The InChIKey is ZAMDXBXXWKITKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N3S/c1-13(2,3)12-18-9-11(20-12)10(8-17)19-6-4-14(15,16)5-7-19/h9-10H,4-8,17H2,1-3H3.
What are the key properties of 2-(2-tert-butyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine?
2-(2-tert-butyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine has a molecular weight of 303.42 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine is sourced from PubChem (CID 118303039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).