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

C12H19F2N3S — CID 134404949

IUPAC2-(4,4-difluoropiperidin-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCNCC(c1cnc(C)s1)N1CCC(F)(F)CC1
InChIInChI=1S/C12H19F2N3S/c1-9-16-8-11(18-9)10(7-15-2)17-5-3-12(13,14)4-6-17/h8,10,15H,3-7H2,1-2H3
InChIKeyBAVDNTNUZWAHHN-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.44
Rot. Bonds4

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

2-(4,4-difluoropiperidin-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 134404949) has the molecular formula C12H19F2N3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID134404949
Molecular FormulaC12H19F2N3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCNCC(c1cnc(C)s1)N1CCC(F)(F)CC1
InChIInChI=1S/C12H19F2N3S/c1-9-16-8-11(18-9)10(7-15-2)17-5-3-12(13,14)4-6-17/h8,10,15H,3-7H2,1-2H3
InChIKeyBAVDNTNUZWAHHN-UHFFFAOYSA-N
XLogP2.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.44
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)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine (CID 134404949) is 2-(4,4-difluoropiperidin-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine is CNCC(c1cnc(C)s1)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is BAVDNTNUZWAHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3S/c1-9-16-8-11(18-9)10(7-15-2)17-5-3-12(13,14)4-6-17/h8,10,15H,3-7H2,1-2H3.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine?
2-(4,4-difluoropiperidin-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 275.37 g/mol, XLogP of 2.44, 4 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)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 134404949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).