1-(2-pyridin-2-ylethyl)-2-(2-thiophen-3-ylpropyl)guanidine

C15H20N4S — CID 111704436

IUPAC1-(2-pyridin-2-ylethyl)-2-(2-thiophen-3-ylpropyl)guanidine
SMILESCC(C/N=C(\N)NCCc1ccccn1)c1ccsc1
InChIInChI=1S/C15H20N4S/c1-12(13-6-9-20-11-13)10-19-15(16)18-8-5-14-4-2-3-7-17-14/h2-4,6-7,9,11-12H,5,8,10H2,1H3,(H3,16,18,19)
InChIKeyTXDRYJGJHSNWAL-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.39
Rot. Bonds6

About 1-(2-pyridin-2-ylethyl)-2-(2-thiophen-3-ylpropyl)guanidine

1-(2-pyridin-2-ylethyl)-2-(2-thiophen-3-ylpropyl)guanidine (PubChem CID 111704436) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-(2-pyridin-2-ylethyl)-2-(2-thiophen-3-ylpropyl)guanidine.

Molecular Properties

Compound Name1-(2-pyridin-2-ylethyl)-2-(2-thiophen-3-ylpropyl)guanidine
PubChem CID111704436
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name1-(2-pyridin-2-ylethyl)-2-(2-thiophen-3-ylpropyl)guanidine
SMILESCC(C/N=C(\N)NCCc1ccccn1)c1ccsc1
InChIInChI=1S/C15H20N4S/c1-12(13-6-9-20-11-13)10-19-15(16)18-8-5-14-4-2-3-7-17-14/h2-4,6-7,9,11-12H,5,8,10H2,1H3,(H3,16,18,19)
InChIKeyTXDRYJGJHSNWAL-UHFFFAOYSA-N
XLogP2.39
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.39
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'}

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Related Compounds

1-(2-pyridin-2-ylethyl)-2-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111816863
2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111025296
2-(2-methyl-3-thiophen-2-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111673485
2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111026298
1-phenyl-2-(2-thiophen-3-ylpropyl)guanidine
CID 111498176
2-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111058070
2-(2-methylnonyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111076559
2-(2-methyl-3-piperidin-1-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111074682
2-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 95761539
2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111806949
tert-butyl N-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-2-methylpropyl]-N-methylcarbamate
CID 111808792
2-hexyl-1-(2-pyridin-2-ylethyl)guanidine
CID 111023818

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-2-ylethyl)-2-(2-thiophen-3-ylpropyl)guanidine?
The IUPAC name of 1-(2-pyridin-2-ylethyl)-2-(2-thiophen-3-ylpropyl)guanidine (CID 111704436) is 1-(2-pyridin-2-ylethyl)-2-(2-thiophen-3-ylpropyl)guanidine.
What is the SMILES notation for 1-(2-pyridin-2-ylethyl)-2-(2-thiophen-3-ylpropyl)guanidine?
The canonical SMILES for 1-(2-pyridin-2-ylethyl)-2-(2-thiophen-3-ylpropyl)guanidine is CC(C/N=C(\N)NCCc1ccccn1)c1ccsc1.
What is the InChIKey of 1-(2-pyridin-2-ylethyl)-2-(2-thiophen-3-ylpropyl)guanidine?
The InChIKey is TXDRYJGJHSNWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-12(13-6-9-20-11-13)10-19-15(16)18-8-5-14-4-2-3-7-17-14/h2-4,6-7,9,11-12H,5,8,10H2,1H3,(H3,16,18,19).
What are the key properties of 1-(2-pyridin-2-ylethyl)-2-(2-thiophen-3-ylpropyl)guanidine?
1-(2-pyridin-2-ylethyl)-2-(2-thiophen-3-ylpropyl)guanidine has a molecular weight of 288.42 g/mol, XLogP of 2.39, 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-3-ylpropyl)guanidine is sourced from PubChem (CID 111704436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).