2-methoxy-N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]ethanamine

C14H25N3O2S — CID 107395917

IUPAC2-methoxy-N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1csc(N2CCCC(C)(OC)C2)n1
InChIInChI=1S/C14H25N3O2S/c1-14(19-3)5-4-7-17(11-14)13-16-12(10-20-13)9-15-6-8-18-2/h10,15H,4-9,11H2,1-3H3
InChIKeyRGIKZXWNKKSRQK-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.88
Rot. Bonds7

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

2-methoxy-N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]ethanamine (PubChem CID 107395917) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]ethanamine
PubChem CID107395917
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name2-methoxy-N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1csc(N2CCCC(C)(OC)C2)n1
InChIInChI=1S/C14H25N3O2S/c1-14(19-3)5-4-7-17(11-14)13-16-12(10-20-13)9-15-6-8-18-2/h10,15H,4-9,11H2,1-3H3
InChIKeyRGIKZXWNKKSRQK-UHFFFAOYSA-N
XLogP1.88
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
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'}

Analyze 2-methoxy-N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107395922
N-[[6-(3-methoxy-3-methylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107395302
4-(chloromethyl)-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-thiazole
CID 130964274
N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 107395753
4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 96656461
N-[[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 107393813
N-[[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 107395568
N-[[2-(7,7-dimethyl-1,4-thiazepan-4-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 107459872
4-chloro-2-(3-methoxy-3-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 107393347
2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 107395732
1-(2-methoxyethyl)-2-methyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111825953
N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine
CID 82514930

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]ethanamine (CID 107395917) is 2-methoxy-N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]ethanamine is COCCNCc1csc(N2CCCC(C)(OC)C2)n1.
What is the InChIKey of 2-methoxy-N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The InChIKey is RGIKZXWNKKSRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-14(19-3)5-4-7-17(11-14)13-16-12(10-20-13)9-15-6-8-18-2/h10,15H,4-9,11H2,1-3H3.
What are the key properties of 2-methoxy-N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]ethanamine has a molecular weight of 299.44 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 107395917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).