N'-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide

C19H27IN4OS — CID 119152005

IUPACN'-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
SMILESCOC(C)c1nc(C/N=C(/Nc2ccccc2)N2CCCCC2)cs1.I
InChIInChI=1S/C19H26N4OS.HI/c1-15(24-2)18-21-17(14-25-18)13-20-19(23-11-7-4-8-12-23)22-16-9-5-3-6-10-16;/h3,5-6,9-10,14-15H,4,7-8,11-13H2,1-2H3,(H,20,22);1H
InChIKeyGCDCUTOVGPECBI-UHFFFAOYSA-N
MW486.42 g/mol
LogP4.92
Rot. Bonds5

About N'-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide

N'-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 119152005) has the molecular formula C19H27IN4OS and a molecular weight of 486.42 g/mol. Its IUPAC name is N'-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
PubChem CID119152005
Molecular FormulaC19H27IN4OS
Molecular Weight486.42 g/mol
Exact Mass486.10
IUPAC NameN'-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
SMILESCOC(C)c1nc(C/N=C(/Nc2ccccc2)N2CCCCC2)cs1.I
InChIInChI=1S/C19H26N4OS.HI/c1-15(24-2)18-21-17(14-25-18)13-20-19(23-11-7-4-8-12-23)22-16-9-5-3-6-10-16;/h3,5-6,9-10,14-15H,4,7-8,11-13H2,1-2H3,(H,20,22);1H
InChIKeyGCDCUTOVGPECBI-UHFFFAOYSA-N
XLogP4.92
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.42
LogP ≤ 54.92
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-N'-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111812637
N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-phenylpiperidine-1-carboximidamide
CID 111041325
N'-benzyl-N-phenylpyrrolidine-1-carboximidamide
CID 12889972
N-phenyl-N'-(pyridazin-3-ylmethyl)piperidine-1-carboximidamide
CID 120580522
N-phenyl-N'-(1,3-thiazol-2-ylmethyl)piperidine-1-carboximidamide
CID 119119501
N-phenyl-N'-[(3,4,5-trimethoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111033624
N'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
CID 110955519
propan-2-yl 3-[[anilino(piperidin-1-yl)methylidene]amino]propanoate
CID 111037118
N'-[(2,5-dimethylpyrazol-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide
CID 120913464
N'-[2-(dimethylamino)-2-methylpropyl]-N-phenylpiperidine-1-carboximidamide
CID 111028734
3-[[anilino(piperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111072594
N-phenyl-N'-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111024708

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide (CID 119152005) is N'-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide is COC(C)c1nc(C/N=C(/Nc2ccccc2)N2CCCCC2)cs1.I.
What is the InChIKey of N'-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is GCDCUTOVGPECBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS.HI/c1-15(24-2)18-21-17(14-25-18)13-20-19(23-11-7-4-8-12-23)22-16-9-5-3-6-10-16;/h3,5-6,9-10,14-15H,4,7-8,11-13H2,1-2H3,(H,20,22);1H.
What are the key properties of N'-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide?
N'-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 486.42 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119152005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).