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

C15H27N3S — CID 114597274

IUPACN-ethyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1cnc(N2CC(C)CC(C)C2C)s1
InChIInChI=1S/C15H27N3S/c1-6-16-12(4)14-8-17-15(19-14)18-9-10(2)7-11(3)13(18)5/h8,10-13,16H,6-7,9H2,1-5H3
InChIKeyHIJSSFRMRRJUIP-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.68
Rot. Bonds4

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

N-ethyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 114597274) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-ethyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID114597274
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-ethyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1cnc(N2CC(C)CC(C)C2C)s1
InChIInChI=1S/C15H27N3S/c1-6-16-12(4)14-8-17-15(19-14)18-9-10(2)7-11(3)13(18)5/h8,10-13,16H,6-7,9H2,1-5H3
InChIKeyHIJSSFRMRRJUIP-UHFFFAOYSA-N
XLogP3.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine (CID 114597274) is N-ethyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine is CCNC(C)c1cnc(N2CC(C)CC(C)C2C)s1.
What is the InChIKey of N-ethyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is HIJSSFRMRRJUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-6-16-12(4)14-8-17-15(19-14)18-9-10(2)7-11(3)13(18)5/h8,10-13,16H,6-7,9H2,1-5H3.
What are the key properties of N-ethyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine?
N-ethyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 281.47 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 114597274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).