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

C14H25N3O2S — CID 62754485

IUPACN-[[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
SMILESCCOC1CCCN(c2ncc(CNCCOC)s2)C1
InChIInChI=1S/C14H25N3O2S/c1-3-19-12-5-4-7-17(11-12)14-16-10-13(20-14)9-15-6-8-18-2/h10,12,15H,3-9,11H2,1-2H3
InChIKeyOWFFQWHGIULYOE-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.88
Rot. Bonds8

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

N-[[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine (PubChem CID 62754485) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
PubChem CID62754485
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-[[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
SMILESCCOC1CCCN(c2ncc(CNCCOC)s2)C1
InChIInChI=1S/C14H25N3O2S/c1-3-19-12-5-4-7-17(11-12)14-16-10-13(20-14)9-15-6-8-18-2/h10,12,15H,3-9,11H2,1-2H3
InChIKeyOWFFQWHGIULYOE-UHFFFAOYSA-N
XLogP1.88
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 79936936
1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 55160312
N-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 55112027
2-methyl-N-[[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62753468
N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82425285
1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81469102
N-[[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63151751
N-[[2-(4-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62754074
N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 64581416
2-methoxy-N-[[2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82424996
N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 64579666
N-[[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62750277

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine (CID 62754485) is N-[[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine is CCOC1CCCN(c2ncc(CNCCOC)s2)C1.
What is the InChIKey of N-[[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine?
The InChIKey is OWFFQWHGIULYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-3-19-12-5-4-7-17(11-12)14-16-10-13(20-14)9-15-6-8-18-2/h10,12,15H,3-9,11H2,1-2H3.
What are the key properties of N-[[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine?
N-[[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine has a molecular weight of 299.44 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 62754485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).