1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide

C20H29IN4OS — CID 110940037

About 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide

1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide (PubChem CID 110940037) has the molecular formula C20H29IN4OS and a molecular weight of 500.45 g/mol. Its IUPAC name is 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
• PubChem CID: 110940037
• Molecular Formula: C20H29IN4OS
• Molecular Weight: 500.45 g/mol
• Exact Mass: 500.11
• IUPAC Name: 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
• SMILES: C/N=C(\NCCOC)NCC(c1ccccc1)N1CCc2sccc2C1.I
• InChI: InChI=1S/C20H28N4OS.HI/c1-21-20(22-10-12-25-2)23-14-18(16-6-4-3-5-7-16)24-11-8-19-17(15-24)9-13-26-19;/h3-7,9,13,18H,8,10-12,14-15H2,1-2H3,(H2,21,22,23);1H
• InChIKey: FIZLDXYYDUUHGZ-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 48.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.45
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide?

The IUPAC name of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide (CID 110940037) is 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide.

What is the SMILES notation for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide?

The canonical SMILES for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide is C/N=C(\NCCOC)NCC(c1ccccc1)N1CCc2sccc2C1.I.

What is the InChIKey of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide?

The InChIKey is FIZLDXYYDUUHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS.HI/c1-21-20(22-10-12-25-2)23-14-18(16-6-4-3-5-7-16)24-11-8-19-17(15-24)9-13-26-19;/h3-7,9,13,18H,8,10-12,14-15H2,1-2H3,(H2,21,22,23);1H.

What are the key properties of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide?

1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide has a molecular weight of 500.45 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 110940037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).