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

C15H27N3OS — CID 62767594

IUPACN-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(N2CCCC(OCC)C2)nc1C
InChIInChI=1S/C15H27N3OS/c1-4-8-16-10-14-12(3)17-15(20-14)18-9-6-7-13(11-18)19-5-2/h13,16H,4-11H2,1-3H3
InChIKeyLODWIUOZVQJWBU-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.96
Rot. Bonds7

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

N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 62767594) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID62767594
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC NameN-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(N2CCCC(OCC)C2)nc1C
InChIInChI=1S/C15H27N3OS/c1-4-8-16-10-14-12(3)17-15(20-14)18-9-6-7-13(11-18)19-5-2/h13,16H,4-11H2,1-3H3
InChIKeyLODWIUOZVQJWBU-UHFFFAOYSA-N
XLogP2.96
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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]propan-1-amine?
The IUPAC name of N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 62767594) is N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(N2CCCC(OCC)C2)nc1C.
What is the InChIKey of N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is LODWIUOZVQJWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-4-8-16-10-14-12(3)17-15(20-14)18-9-6-7-13(11-18)19-5-2/h13,16H,4-11H2,1-3H3.
What are the key properties of N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 297.47 g/mol, XLogP of 2.96, 7 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]propan-1-amine is sourced from PubChem (CID 62767594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).