4-ethoxy-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpiperidine-1-carboximidamide

C16H28N4OS — CID 111959969

IUPAC4-ethoxy-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpiperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCCc2csc(CC)n2)CC1
InChIInChI=1S/C16H28N4OS/c1-4-15-19-13(12-22-15)6-9-18-16(17-3)20-10-7-14(8-11-20)21-5-2/h12,14H,4-11H2,1-3H3,(H,17,18)
InChIKeyJEWWBQNSQHHURJ-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.32
Rot. Bonds6

About 4-ethoxy-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpiperidine-1-carboximidamide

4-ethoxy-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpiperidine-1-carboximidamide (PubChem CID 111959969) has the molecular formula C16H28N4OS and a molecular weight of 324.49 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpiperidine-1-carboximidamide
PubChem CID111959969
Molecular FormulaC16H28N4OS
Molecular Weight324.49 g/mol
Exact Mass324.20
IUPAC Name4-ethoxy-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpiperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCCc2csc(CC)n2)CC1
InChIInChI=1S/C16H28N4OS/c1-4-15-19-13(12-22-15)6-9-18-16(17-3)20-10-7-14(8-11-20)21-5-2/h12,14H,4-11H2,1-3H3,(H,17,18)
InChIKeyJEWWBQNSQHHURJ-UHFFFAOYSA-N
XLogP2.32
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.32
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

4-ethoxy-N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboximidamide
CID 111960671
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 111527641
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219059
ethyl 1-[N'-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]piperidine-4-carboxylate
CID 111156971
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-N'-methyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboximidamide
CID 111749144
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 110946906
4-ethoxy-N-[2-(5-iodothiophen-2-yl)ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111959310
4-ethoxy-N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111960514
N-[2-(2,6-dichlorophenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111960837
4-ethoxy-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111960298
4-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111960864
4-ethoxy-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111959298

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpiperidine-1-carboximidamide?
The IUPAC name of 4-ethoxy-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpiperidine-1-carboximidamide (CID 111959969) is 4-ethoxy-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-ethoxy-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpiperidine-1-carboximidamide?
The canonical SMILES for 4-ethoxy-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpiperidine-1-carboximidamide is CCOC1CCN(/C(=N/C)NCCc2csc(CC)n2)CC1.
What is the InChIKey of 4-ethoxy-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpiperidine-1-carboximidamide?
The InChIKey is JEWWBQNSQHHURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4OS/c1-4-15-19-13(12-22-15)6-9-18-16(17-3)20-10-7-14(8-11-20)21-5-2/h12,14H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 4-ethoxy-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpiperidine-1-carboximidamide?
4-ethoxy-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpiperidine-1-carboximidamide has a molecular weight of 324.49 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111959969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).