2-(4,4-difluoro-2-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine

C12H19F2N3S — CID 118302998

IUPAC2-(4,4-difluoro-2-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncc(C(CN)N2CCC(F)(F)CC2C)s1
InChIInChI=1S/C12H19F2N3S/c1-8-5-12(13,14)3-4-17(8)10(6-15)11-7-16-9(2)18-11/h7-8,10H,3-6,15H2,1-2H3
InChIKeyBKJUWQAFXNMCCG-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.57
Rot. Bonds3

About 2-(4,4-difluoro-2-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine

2-(4,4-difluoro-2-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 118302998) has the molecular formula C12H19F2N3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-(4,4-difluoro-2-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4,4-difluoro-2-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID118302998
Molecular FormulaC12H19F2N3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name2-(4,4-difluoro-2-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncc(C(CN)N2CCC(F)(F)CC2C)s1
InChIInChI=1S/C12H19F2N3S/c1-8-5-12(13,14)3-4-17(8)10(6-15)11-7-16-9(2)18-11/h7-8,10H,3-6,15H2,1-2H3
InChIKeyBKJUWQAFXNMCCG-UHFFFAOYSA-N
XLogP2.57
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-amine hydrochloride
CID 122163992
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-amine
CID 19767930
1-Methyl-2-(1,3-thiazol-5-yl)-2-(trifluoromethyl)piperidin-4-amine
CID 117721481
1-[2,2,2-Trifluoro-1-(1,3-thiazol-5-yl)ethyl]piperidin-4-amine
CID 117721482
1-Methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-amine
CID 117721483
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-(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
5-(Piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole
CID 120833676

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoro-2-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 2-(4,4-difluoro-2-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine (CID 118302998) is 2-(4,4-difluoro-2-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4,4-difluoro-2-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 2-(4,4-difluoro-2-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine is Cc1ncc(C(CN)N2CCC(F)(F)CC2C)s1.
What is the InChIKey of 2-(4,4-difluoro-2-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is BKJUWQAFXNMCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3S/c1-8-5-12(13,14)3-4-17(8)10(6-15)11-7-16-9(2)18-11/h7-8,10H,3-6,15H2,1-2H3.
What are the key properties of 2-(4,4-difluoro-2-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine?
2-(4,4-difluoro-2-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 275.37 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoro-2-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 118302998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).