1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide

C19H29IN4O2S — CID 109404040

About 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide

1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide (PubChem CID 109404040) has the molecular formula C19H29IN4O2S and a molecular weight of 504.44 g/mol. Its IUPAC name is 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide
• PubChem CID: 109404040
• Molecular Formula: C19H29IN4O2S
• Molecular Weight: 504.44 g/mol
• Exact Mass: 504.11
• IUPAC Name: 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide
• SMILES: CCN/C(=N\CCOCc1ccccc1OC)NCCc1ncc(C)s1.I
• InChI: InChI=1S/C19H28N4O2S.HI/c1-4-20-19(21-10-9-18-23-13-15(2)26-18)22-11-12-25-14-16-7-5-6-8-17(16)24-3;/h5-8,13H,4,9-12,14H2,1-3H3,(H2,20,21,22);1H
• InChIKey: MGFLCXUFYPHCJN-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 67.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.44
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide?

The IUPAC name of 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide (CID 109404040) is 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide.

What is the SMILES notation for 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide?

The canonical SMILES for 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide is CCN/C(=N\CCOCc1ccccc1OC)NCCc1ncc(C)s1.I.

What is the InChIKey of 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide?

The InChIKey is MGFLCXUFYPHCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S.HI/c1-4-20-19(21-10-9-18-23-13-15(2)26-18)22-11-12-25-14-16-7-5-6-8-17(16)24-3;/h5-8,13H,4,9-12,14H2,1-3H3,(H2,20,21,22);1H.

What are the key properties of 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide?

1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide has a molecular weight of 504.44 g/mol, XLogP of 3.39, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 109404040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).