5-[1-(4,4-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazol-2-amine

C12H19F2N3S — CID 123480901

IUPAC5-[1-(4,4-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazol-2-amine
SMILESCCC(c1sc(N)nc1C)N1CCC(F)(F)CC1
InChIInChI=1S/C12H19F2N3S/c1-3-9(10-8(2)16-11(15)18-10)17-6-4-12(13,14)5-7-17/h9H,3-7H2,1-2H3,(H2,15,16)
InChIKeyHYAFWDZUZDJJEC-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.22
Rot. Bonds3

About 5-[1-(4,4-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazol-2-amine

5-[1-(4,4-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 123480901) has the molecular formula C12H19F2N3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 5-[1-(4,4-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[1-(4,4-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID123480901
Molecular FormulaC12H19F2N3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name5-[1-(4,4-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazol-2-amine
SMILESCCC(c1sc(N)nc1C)N1CCC(F)(F)CC1
InChIInChI=1S/C12H19F2N3S/c1-3-9(10-8(2)16-11(15)18-10)17-6-4-12(13,14)5-7-17/h9H,3-7H2,1-2H3,(H2,15,16)
InChIKeyHYAFWDZUZDJJEC-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4,4-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[1-(4,4-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazol-2-amine (CID 123480901) is 5-[1-(4,4-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[1-(4,4-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[1-(4,4-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazol-2-amine is CCC(c1sc(N)nc1C)N1CCC(F)(F)CC1.
What is the InChIKey of 5-[1-(4,4-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is HYAFWDZUZDJJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3S/c1-3-9(10-8(2)16-11(15)18-10)17-6-4-12(13,14)5-7-17/h9H,3-7H2,1-2H3,(H2,15,16).
What are the key properties of 5-[1-(4,4-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazol-2-amine?
5-[1-(4,4-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 275.37 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4,4-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 123480901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).