1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine

C17H24N4OS — CID 111704649

IUPAC1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine
SMILESCCN/C(=N\Cc1cccnc1OC)NCC(C)c1ccsc1
InChIInChI=1S/C17H24N4OS/c1-4-18-17(20-10-13(2)15-7-9-23-12-15)21-11-14-6-5-8-19-16(14)22-3/h5-9,12-13H,4,10-11H2,1-3H3,(H2,18,20,21)
InChIKeyVJUIEBWJGALYEZ-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.01
Rot. Bonds7

About 1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine

1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine (PubChem CID 111704649) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine
PubChem CID111704649
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine
SMILESCCN/C(=N\Cc1cccnc1OC)NCC(C)c1ccsc1
InChIInChI=1S/C17H24N4OS/c1-4-18-17(20-10-13(2)15-7-9-23-12-15)21-11-14-6-5-8-19-16(14)22-3/h5-9,12-13H,4,10-11H2,1-3H3,(H2,18,20,21)
InChIKeyVJUIEBWJGALYEZ-UHFFFAOYSA-N
XLogP3.01
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-ethyl-2-[(2-hydroxy-3-methoxyphenyl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine
CID 111990217
2-[[2-(ethoxymethyl)phenyl]methyl]-1-ethyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111704153
1-ethyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-(2-thiophen-3-ylpropyl)guanidine
CID 111704837
1-ethyl-3-(2-methylpropyl)-2-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111179842
2-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111704892
1-butyl-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
CID 111151098
1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 109494840
1-ethyl-2-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-(2-thiophen-3-ylpropyl)guanidine
CID 111704639
1-(cyclopropylmethyl)-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111870756
1-ethyl-2-[(4-fluorophenyl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine
CID 111703249
2-methyl-1-[(2-phenylmethoxy-3-pyridinyl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111704564
1-ethyl-3-heptan-2-yl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
CID 111194748

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine?
The IUPAC name of 1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine (CID 111704649) is 1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine?
The canonical SMILES for 1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine is CCN/C(=N\Cc1cccnc1OC)NCC(C)c1ccsc1.
What is the InChIKey of 1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine?
The InChIKey is VJUIEBWJGALYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-4-18-17(20-10-13(2)15-7-9-23-12-15)21-11-14-6-5-8-19-16(14)22-3/h5-9,12-13H,4,10-11H2,1-3H3,(H2,18,20,21).
What are the key properties of 1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine?
1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine has a molecular weight of 332.47 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine is sourced from PubChem (CID 111704649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).