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

C16H28N4OS — CID 111960671

IUPAC4-ethoxy-N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCCCc2nc(C)cs2)CC1
InChIInChI=1S/C16H28N4OS/c1-4-21-14-7-10-20(11-8-14)16(17-3)18-9-5-6-15-19-13(2)12-22-15/h12,14H,4-11H2,1-3H3,(H,17,18)
InChIKeyNUZRNBHFQIUKER-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.46
Rot. Bonds6

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

4-ethoxy-N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboximidamide (PubChem CID 111960671) has the molecular formula C16H28N4OS and a molecular weight of 324.49 g/mol. Its IUPAC name is 4-ethoxy-N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-ethoxy-N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboximidamide
PubChem CID111960671
Molecular FormulaC16H28N4OS
Molecular Weight324.49 g/mol
Exact Mass324.20
IUPAC Name4-ethoxy-N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCCCc2nc(C)cs2)CC1
InChIInChI=1S/C16H28N4OS/c1-4-21-14-7-10-20(11-8-14)16(17-3)18-9-5-6-15-19-13(2)12-22-15/h12,14H,4-11H2,1-3H3,(H,17,18)
InChIKeyNUZRNBHFQIUKER-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N',4-dimethyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111212148
N'-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-4-phenoxypiperidine-1-carboximidamide
CID 109426744
4-ethoxy-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpiperidine-1-carboximidamide
CID 111959969
N'-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448337
N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723198
N'-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109442890
N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109379296
N-[3-(4-chlorophenyl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111960653
N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744613
N',3-dimethyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-propylpiperidine-1-carboximidamide
CID 109490282
4-(3-methoxyphenyl)-N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111291252
4-(2,5-difluorophenyl)-N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 109450642

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboximidamide?
The IUPAC name of 4-ethoxy-N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboximidamide (CID 111960671) is 4-ethoxy-N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-ethoxy-N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-ethoxy-N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboximidamide is CCOC1CCN(/C(=N/C)NCCCc2nc(C)cs2)CC1.
What is the InChIKey of 4-ethoxy-N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboximidamide?
The InChIKey is NUZRNBHFQIUKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4OS/c1-4-21-14-7-10-20(11-8-14)16(17-3)18-9-5-6-15-19-13(2)12-22-15/h12,14H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 4-ethoxy-N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboximidamide?
4-ethoxy-N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboximidamide has a molecular weight of 324.49 g/mol, XLogP of 2.46, 6 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-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111960671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).