1-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine

C12H21N3S — CID 62752213

IUPAC1-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCC1CCN(c2ncc(C(C)N)s2)C(C)C1
InChIInChI=1S/C12H21N3S/c1-8-4-5-15(9(2)6-8)12-14-7-11(16-12)10(3)13/h7-10H,4-6,13H2,1-3H3
InChIKeyIXLSVAYBNVWFGM-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.79
Rot. Bonds2

About 1-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine

1-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 62752213) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID62752213
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name1-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCC1CCN(c2ncc(C(C)N)s2)C(C)C1
InChIInChI=1S/C12H21N3S/c1-8-4-5-15(9(2)6-8)12-14-7-11(16-12)10(3)13/h7-10H,4-6,13H2,1-3H3
InChIKeyIXLSVAYBNVWFGM-UHFFFAOYSA-N
XLogP2.79
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine (CID 62752213) is 1-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine is CC1CCN(c2ncc(C(C)N)s2)C(C)C1.
What is the InChIKey of 1-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is IXLSVAYBNVWFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-8-4-5-15(9(2)6-8)12-14-7-11(16-12)10(3)13/h7-10H,4-6,13H2,1-3H3.
What are the key properties of 1-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine?
1-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 239.39 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 62752213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).