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

C16H21IN4S — CID 111038327

IUPACN'-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1csc(-c2ccccc2)n1)N1CCCCC1
InChIInChI=1S/C16H20N4S.HI/c17-16(20-9-5-2-6-10-20)18-11-14-12-21-15(19-14)13-7-3-1-4-8-13;/h1,3-4,7-8,12H,2,5-6,9-11H2,(H2,17,18);1H
InChIKeyUMCXJFSOGDWSHA-UHFFFAOYSA-N
MW428.34 g/mol
LogP3.73
Rot. Bonds3

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

N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111038327) has the molecular formula C16H21IN4S and a molecular weight of 428.34 g/mol. Its IUPAC name is N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111038327
Molecular FormulaC16H21IN4S
Molecular Weight428.34 g/mol
Exact Mass428.05
IUPAC NameN'-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1csc(-c2ccccc2)n1)N1CCCCC1
InChIInChI=1S/C16H20N4S.HI/c17-16(20-9-5-2-6-10-20)18-11-14-12-21-15(19-14)13-7-3-1-4-8-13;/h1,3-4,7-8,12H,2,5-6,9-11H2,(H2,17,18);1H
InChIKeyUMCXJFSOGDWSHA-UHFFFAOYSA-N
XLogP3.73
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.34
LogP ≤ 53.73
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

N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide
CID 111809380
1-tert-butyl-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111038265
1,1-diethyl-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine
CID 111038270
1-(2-methylpropyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111038263
1-(cyclobutylmethyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111038303
N'-[[5-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide
CID 18693850
1-(3-methylbutyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111038251
2-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111038291
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine
CID 111038310
N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 111023397
(3S)-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 29136377
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628

Frequently Asked Questions

What is the IUPAC name of N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide (CID 111038327) is N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide is I.N/C(=N\Cc1csc(-c2ccccc2)n1)N1CCCCC1.
What is the InChIKey of N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is UMCXJFSOGDWSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S.HI/c17-16(20-9-5-2-6-10-20)18-11-14-12-21-15(19-14)13-7-3-1-4-8-13;/h1,3-4,7-8,12H,2,5-6,9-11H2,(H2,17,18);1H.
What are the key properties of N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 428.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111038327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).