N'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide

C15H27IN4S — CID 111804713

IUPACN'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC(C)(C)c1csc(CC/N=C(\N)N2CCCCC2)n1.I
InChIInChI=1S/C15H26N4S.HI/c1-15(2,3)12-11-20-13(18-12)7-8-17-14(16)19-9-5-4-6-10-19;/h11H,4-10H2,1-3H3,(H2,16,17);1H
InChIKeyOTBXNEZJMZATDL-UHFFFAOYSA-N
MW422.38 g/mol
LogP3.40
Rot. Bonds3

About N'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide

N'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111804713) has the molecular formula C15H27IN4S and a molecular weight of 422.38 g/mol. Its IUPAC name is N'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111804713
Molecular FormulaC15H27IN4S
Molecular Weight422.38 g/mol
Exact Mass422.10
IUPAC NameN'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC(C)(C)c1csc(CC/N=C(\N)N2CCCCC2)n1.I
InChIInChI=1S/C15H26N4S.HI/c1-15(2,3)12-11-20-13(18-12)7-8-17-14(16)19-9-5-4-6-10-19;/h11H,4-10H2,1-3H3,(H2,16,17);1H
InChIKeyOTBXNEZJMZATDL-UHFFFAOYSA-N
XLogP3.40
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.38
LogP ≤ 53.40
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-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661628
N'-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111098854
N'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]azepane-1-carboximidamide
CID 75495266
N-phenyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboximidamide
CID 111820886
2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine
CID 111804732
tert-butyl 4-[N'-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111815243
ethyl 4-[[N'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111838267
N'-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111478527
2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111834452
2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111804650
1-ethyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 111688431
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 79828051

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide (CID 111804713) is N'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide is CC(C)(C)c1csc(CC/N=C(\N)N2CCCCC2)n1.I.
What is the InChIKey of N'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is OTBXNEZJMZATDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S.HI/c1-15(2,3)12-11-20-13(18-12)7-8-17-14(16)19-9-5-4-6-10-19;/h11H,4-10H2,1-3H3,(H2,16,17);1H.
What are the key properties of N'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
N'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 422.38 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111804713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).