1-(2-pyridin-2-ylethyl)-2-(2-thiophen-2-ylpropyl)guanidine;hydroiodide

C15H21IN4S — CID 111816863

IUPAC1-(2-pyridin-2-ylethyl)-2-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
SMILESCC(C/N=C(\N)NCCc1ccccn1)c1cccs1.I
InChIInChI=1S/C15H20N4S.HI/c1-12(14-6-4-10-20-14)11-19-15(16)18-9-7-13-5-2-3-8-17-13;/h2-6,8,10,12H,7,9,11H2,1H3,(H3,16,18,19);1H
InChIKeyOSFPBQWJKIAZMC-UHFFFAOYSA-N
MW416.33 g/mol
LogP3.01
Rot. Bonds6

About 1-(2-pyridin-2-ylethyl)-2-(2-thiophen-2-ylpropyl)guanidine;hydroiodide

1-(2-pyridin-2-ylethyl)-2-(2-thiophen-2-ylpropyl)guanidine;hydroiodide (PubChem CID 111816863) has the molecular formula C15H21IN4S and a molecular weight of 416.33 g/mol. Its IUPAC name is 1-(2-pyridin-2-ylethyl)-2-(2-thiophen-2-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-pyridin-2-ylethyl)-2-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
PubChem CID111816863
Molecular FormulaC15H21IN4S
Molecular Weight416.33 g/mol
Exact Mass416.05
IUPAC Name1-(2-pyridin-2-ylethyl)-2-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
SMILESCC(C/N=C(\N)NCCc1ccccn1)c1cccs1.I
InChIInChI=1S/C15H20N4S.HI/c1-12(14-6-4-10-20-14)11-19-15(16)18-9-7-13-5-2-3-8-17-13;/h2-6,8,10,12H,7,9,11H2,1H3,(H3,16,18,19);1H
InChIKeyOSFPBQWJKIAZMC-UHFFFAOYSA-N
XLogP3.01
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
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

2-(2-methyl-3-thiophen-2-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111673485
1-(2-pyridin-2-ylethyl)-2-(2-thiophen-3-ylpropyl)guanidine
CID 111704436
2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111025296
2-(2-methylnonyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111076559
2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111026298
2-(2-methyl-3-piperidin-1-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111074682
2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111806949
2-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111100736
1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111800785
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-propylacetamide
CID 111032170
2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024681
2-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111058070

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-2-ylethyl)-2-(2-thiophen-2-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-(2-pyridin-2-ylethyl)-2-(2-thiophen-2-ylpropyl)guanidine;hydroiodide (CID 111816863) is 1-(2-pyridin-2-ylethyl)-2-(2-thiophen-2-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(2-pyridin-2-ylethyl)-2-(2-thiophen-2-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-(2-pyridin-2-ylethyl)-2-(2-thiophen-2-ylpropyl)guanidine;hydroiodide is CC(C/N=C(\N)NCCc1ccccn1)c1cccs1.I.
What is the InChIKey of 1-(2-pyridin-2-ylethyl)-2-(2-thiophen-2-ylpropyl)guanidine;hydroiodide?
The InChIKey is OSFPBQWJKIAZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S.HI/c1-12(14-6-4-10-20-14)11-19-15(16)18-9-7-13-5-2-3-8-17-13;/h2-6,8,10,12H,7,9,11H2,1H3,(H3,16,18,19);1H.
What are the key properties of 1-(2-pyridin-2-ylethyl)-2-(2-thiophen-2-ylpropyl)guanidine;hydroiodide?
1-(2-pyridin-2-ylethyl)-2-(2-thiophen-2-ylpropyl)guanidine;hydroiodide has a molecular weight of 416.33 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-2-ylethyl)-2-(2-thiophen-2-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111816863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).