4-ethoxy-N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboximidamide

C14H24N4OS — CID 111959237

IUPAC4-ethoxy-N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCc2cnc(C)s2)CC1
InChIInChI=1S/C14H24N4OS/c1-4-19-12-5-7-18(8-6-12)14(15-3)17-10-13-9-16-11(2)20-13/h9,12H,4-8,10H2,1-3H3,(H,15,17)
InChIKeyHXIFOCUOPRXDOV-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.03
Rot. Bonds4

About 4-ethoxy-N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboximidamide

4-ethoxy-N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboximidamide (PubChem CID 111959237) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-ethoxy-N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-ethoxy-N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboximidamide
PubChem CID111959237
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name4-ethoxy-N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCc2cnc(C)s2)CC1
InChIInChI=1S/C14H24N4OS/c1-4-19-12-5-7-18(8-6-12)14(15-3)17-10-13-9-16-11(2)20-13/h9,12H,4-8,10H2,1-3H3,(H,15,17)
InChIKeyHXIFOCUOPRXDOV-UHFFFAOYSA-N
XLogP2.03
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427507
4-ethoxy-N'-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide
CID 111958145
tert-butyl N-[1-[N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111729911
4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958210
4-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111960864
N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111221143
4-ethoxy-N-[(2-ethoxyphenyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111960028
N-[(2,4-dimethylphenyl)methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958624
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 109407252
4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylpiperidine-1-carboximidamide
CID 111959393
4-ethoxy-N-[2-(5-iodothiophen-2-yl)ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111959310
4-ethoxy-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methylpiperidine-1-carboximidamide
CID 111958709

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboximidamide?
The IUPAC name of 4-ethoxy-N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboximidamide (CID 111959237) is 4-ethoxy-N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-ethoxy-N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-ethoxy-N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboximidamide is CCOC1CCN(/C(=N/C)NCc2cnc(C)s2)CC1.
What is the InChIKey of 4-ethoxy-N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboximidamide?
The InChIKey is HXIFOCUOPRXDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-4-19-12-5-7-18(8-6-12)14(15-3)17-10-13-9-16-11(2)20-13/h9,12H,4-8,10H2,1-3H3,(H,15,17).
What are the key properties of 4-ethoxy-N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboximidamide?
4-ethoxy-N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboximidamide has a molecular weight of 296.44 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111959237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).