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

C14H25N3OS — CID 55117950

IUPACN-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2CCCC(OCC)C2)nc1C
InChIInChI=1S/C14H25N3OS/c1-4-15-9-13-11(3)16-14(19-13)17-8-6-7-12(10-17)18-5-2/h12,15H,4-10H2,1-3H3
InChIKeyOGRPUQAPMCNEPG-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.57
Rot. Bonds6

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

N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 55117950) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID55117950
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2CCCC(OCC)C2)nc1C
InChIInChI=1S/C14H25N3OS/c1-4-15-9-13-11(3)16-14(19-13)17-8-6-7-12(10-17)18-5-2/h12,15H,4-10H2,1-3H3
InChIKeyOGRPUQAPMCNEPG-UHFFFAOYSA-N
XLogP2.57
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine (CID 55117950) is N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(N2CCCC(OCC)C2)nc1C.
What is the InChIKey of N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is OGRPUQAPMCNEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-4-15-9-13-11(3)16-14(19-13)17-8-6-7-12(10-17)18-5-2/h12,15H,4-10H2,1-3H3.
What are the key properties of N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 283.44 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 55117950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).