N'-(2-morpholin-4-yl-2-phenylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide

C20H29IN6OS — CID 111060890

About N'-(2-morpholin-4-yl-2-phenylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide

N'-(2-morpholin-4-yl-2-phenylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 111060890) has the molecular formula C20H29IN6OS and a molecular weight of 528.46 g/mol. Its IUPAC name is N'-(2-morpholin-4-yl-2-phenylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N'-(2-morpholin-4-yl-2-phenylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
• PubChem CID: 111060890
• Molecular Formula: C20H29IN6OS
• Molecular Weight: 528.46 g/mol
• Exact Mass: 528.12
• IUPAC Name: N'-(2-morpholin-4-yl-2-phenylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
• SMILES: I.N/C(=N\CC(c1ccccc1)N1CCOCC1)N1CCN(c2nccs2)CC1
• InChI: InChI=1S/C20H28N6OS.HI/c21-19(25-7-9-26(10-8-25)20-22-6-15-28-20)23-16-18(17-4-2-1-3-5-17)24-11-13-27-14-12-24;/h1-6,15,18H,7-14,16H2,(H2,21,23);1H
• InChIKey: HEYAQALPAVSPCK-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 70.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.46
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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 N'-(2-morpholin-4-yl-2-phenylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?

The IUPAC name of N'-(2-morpholin-4-yl-2-phenylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide (CID 111060890) is N'-(2-morpholin-4-yl-2-phenylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N'-(2-morpholin-4-yl-2-phenylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?

The canonical SMILES for N'-(2-morpholin-4-yl-2-phenylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide is I.N/C(=N\CC(c1ccccc1)N1CCOCC1)N1CCN(c2nccs2)CC1.

What is the InChIKey of N'-(2-morpholin-4-yl-2-phenylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?

The InChIKey is HEYAQALPAVSPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6OS.HI/c21-19(25-7-9-26(10-8-25)20-22-6-15-28-20)23-16-18(17-4-2-1-3-5-17)24-11-13-27-14-12-24;/h1-6,15,18H,7-14,16H2,(H2,21,23);1H.

What are the key properties of N'-(2-morpholin-4-yl-2-phenylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?

N'-(2-morpholin-4-yl-2-phenylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 528.46 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(2-morpholin-4-yl-2-phenylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111060890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).