2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide

C19H29IN4OS2 — CID 111795328

About 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide

2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide (PubChem CID 111795328) has the molecular formula C19H29IN4OS2 and a molecular weight of 520.51 g/mol. Its IUPAC name is 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide.

Molecular Properties

• Compound Name: 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
• PubChem CID: 111795328
• Molecular Formula: C19H29IN4OS2
• Molecular Weight: 520.51 g/mol
• Exact Mass: 520.08
• IUPAC Name: 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
• SMILES: C/N=C(\NCC(C)c1cccs1)NCC(c1cccs1)N1CCOCC1.I
• InChI: InChI=1S/C19H28N4OS2.HI/c1-15(17-5-3-11-25-17)13-21-19(20-2)22-14-16(18-6-4-12-26-18)23-7-9-24-10-8-23;/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3,(H2,20,21,22);1H
• InChIKey: CZPJAHODOVDCPW-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 48.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.51
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide?

The IUPAC name of 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide (CID 111795328) is 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide.

What is the SMILES notation for 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide?

The canonical SMILES for 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide is C/N=C(\NCC(C)c1cccs1)NCC(c1cccs1)N1CCOCC1.I.

What is the InChIKey of 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide?

The InChIKey is CZPJAHODOVDCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4OS2.HI/c1-15(17-5-3-11-25-17)13-21-19(20-2)22-14-16(18-6-4-12-26-18)23-7-9-24-10-8-23;/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3,(H2,20,21,22);1H.

What are the key properties of 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide?

2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide has a molecular weight of 520.51 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111795328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).