4-ethoxy-N-ethyl-N'-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-1-carboximidamide;hydroiodide

C20H35IN4OS — CID 111960910

About 4-ethoxy-N-ethyl-N'-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-1-carboximidamide;hydroiodide

4-ethoxy-N-ethyl-N'-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111960910) has the molecular formula C20H35IN4OS and a molecular weight of 506.50 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-N'-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: 4-ethoxy-N-ethyl-N'-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-1-carboximidamide;hydroiodide
• PubChem CID: 111960910
• Molecular Formula: C20H35IN4OS
• Molecular Weight: 506.50 g/mol
• Exact Mass: 506.16
• IUPAC Name: 4-ethoxy-N-ethyl-N'-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-1-carboximidamide;hydroiodide
• SMILES: CCN/C(=N\CCCc1nc2c(s1)CCCC2)N1CCC(OCC)CC1.I
• InChI: InChI=1S/C20H34N4OS.HI/c1-3-21-20(24-14-11-16(12-15-24)25-4-2)22-13-7-10-19-23-17-8-5-6-9-18(17)26-19;/h16H,3-15H2,1-2H3,(H,21,22);1H
• InChIKey: XIEWFJFPFXRUBN-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 49.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.50
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
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 4-ethoxy-N-ethyl-N'-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-1-carboximidamide;hydroiodide?

The IUPAC name of 4-ethoxy-N-ethyl-N'-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-1-carboximidamide;hydroiodide (CID 111960910) is 4-ethoxy-N-ethyl-N'-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-1-carboximidamide;hydroiodide.

What is the SMILES notation for 4-ethoxy-N-ethyl-N'-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-1-carboximidamide;hydroiodide?

The canonical SMILES for 4-ethoxy-N-ethyl-N'-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCCc1nc2c(s1)CCCC2)N1CCC(OCC)CC1.I.

What is the InChIKey of 4-ethoxy-N-ethyl-N'-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-1-carboximidamide;hydroiodide?

The InChIKey is XIEWFJFPFXRUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4OS.HI/c1-3-21-20(24-14-11-16(12-15-24)25-4-2)22-13-7-10-19-23-17-8-5-6-9-18(17)26-19;/h16H,3-15H2,1-2H3,(H,21,22);1H.

What are the key properties of 4-ethoxy-N-ethyl-N'-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-1-carboximidamide;hydroiodide?

4-ethoxy-N-ethyl-N'-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 506.50 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethoxy-N-ethyl-N'-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111960910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).