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

C13H21F2N3S — CID 118303036

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethanamine
SMILESCCCc1ncc(C(CN)N2CCC(F)(F)CC2)s1
InChIInChI=1S/C13H21F2N3S/c1-2-3-12-17-9-11(19-12)10(8-16)18-6-4-13(14,15)5-7-18/h9-10H,2-8,16H2,1H3
InChIKeyACGBCTIMIFVZNS-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.83
Rot. Bonds5

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

2-(4,4-difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 118303036) has the molecular formula C13H21F2N3S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethanamine
PubChem CID118303036
Molecular FormulaC13H21F2N3S
Molecular Weight289.40 g/mol
Exact Mass289.14
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethanamine
SMILESCCCc1ncc(C(CN)N2CCC(F)(F)CC2)s1
InChIInChI=1S/C13H21F2N3S/c1-2-3-12-17-9-11(19-12)10(8-16)18-6-4-13(14,15)5-7-18/h9-10H,2-8,16H2,1H3
InChIKeyACGBCTIMIFVZNS-UHFFFAOYSA-N
XLogP2.83
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.83
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-(2-propyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethanamine (CID 118303036) is 2-(4,4-difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethanamine is CCCc1ncc(C(CN)N2CCC(F)(F)CC2)s1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is ACGBCTIMIFVZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3S/c1-2-3-12-17-9-11(19-12)10(8-16)18-6-4-13(14,15)5-7-18/h9-10H,2-8,16H2,1H3.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethanamine?
2-(4,4-difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 289.40 g/mol, XLogP of 2.83, 5 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-propyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 118303036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).