N-ethyl-N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide

C17H31IN4S — CID 111153251

IUPACN-ethyl-N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1csc(CC)n1)N1CC(C)CC(C)C1.I
InChIInChI=1S/C17H30N4S.HI/c1-5-16-20-15(12-22-16)7-8-19-17(18-6-2)21-10-13(3)9-14(4)11-21;/h12-14H,5-11H2,1-4H3,(H,18,19);1H
InChIKeyOBGYPAXZAHABML-UHFFFAOYSA-N
MW450.43 g/mol
LogP3.81
Rot. Bonds5

About N-ethyl-N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide

N-ethyl-N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111153251) has the molecular formula C17H31IN4S and a molecular weight of 450.43 g/mol. Its IUPAC name is N-ethyl-N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111153251
Molecular FormulaC17H31IN4S
Molecular Weight450.43 g/mol
Exact Mass450.13
IUPAC NameN-ethyl-N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1csc(CC)n1)N1CC(C)CC(C)C1.I
InChIInChI=1S/C17H30N4S.HI/c1-5-16-20-15(12-22-16)7-8-19-17(18-6-2)21-10-13(3)9-14(4)11-21;/h12-14H,5-11H2,1-4H3,(H,18,19);1H
InChIKeyOBGYPAXZAHABML-UHFFFAOYSA-N
XLogP3.81
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N-ethyl-N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide
CID 110963059
N-ethyl-3,5-dimethyl-N'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboximidamide
CID 111153921
4-benzyl-N-ethyl-N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide
CID 110959917
N-ethyl-N'-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111826119
N-ethyl-N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109434229
N,2-diethyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]thiomorpholine-4-carboximidamide
CID 109485344
N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153181
N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110927708
1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylcyclohexyl)guanidine
CID 111256285
N-ethyl-N'-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111154302
1-cyclopentyl-3-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 110990984
(3R)-N-ethyl-3-hydroxy-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111550793

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide (CID 111153251) is N-ethyl-N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCc1csc(CC)n1)N1CC(C)CC(C)C1.I.
What is the InChIKey of N-ethyl-N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is OBGYPAXZAHABML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4S.HI/c1-5-16-20-15(12-22-16)7-8-19-17(18-6-2)21-10-13(3)9-14(4)11-21;/h12-14H,5-11H2,1-4H3,(H,18,19);1H.
What are the key properties of N-ethyl-N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide?
N-ethyl-N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 450.43 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111153251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).