N-[[4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine

C16H29N3S — CID 114597327

IUPACN-[[4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2CC(C)CC(C)C2C)nc1CC
InChIInChI=1S/C16H29N3S/c1-6-14-15(9-17-7-2)20-16(18-14)19-10-11(3)8-12(4)13(19)5/h11-13,17H,6-10H2,1-5H3
InChIKeyBBWFGHLKHKNUEI-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.69
Rot. Bonds5

About N-[[4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 114597327) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N-[[4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID114597327
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN-[[4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2CC(C)CC(C)C2C)nc1CC
InChIInChI=1S/C16H29N3S/c1-6-14-15(9-17-7-2)20-16(18-14)19-10-11(3)8-12(4)13(19)5/h11-13,17H,6-10H2,1-5H3
InChIKeyBBWFGHLKHKNUEI-UHFFFAOYSA-N
XLogP3.69
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 114597327) is N-[[4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(N2CC(C)CC(C)C2C)nc1CC.
What is the InChIKey of N-[[4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is BBWFGHLKHKNUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-6-14-15(9-17-7-2)20-16(18-14)19-10-11(3)8-12(4)13(19)5/h11-13,17H,6-10H2,1-5H3.
What are the key properties of N-[[4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 295.50 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114597327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).