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

C18H33IN6OS — CID 111041544

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

N'-(4-methyl-2-morpholin-4-ylpentyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 111041544) has the molecular formula C18H33IN6OS and a molecular weight of 508.47 g/mol. Its IUPAC name is N'-(4-methyl-2-morpholin-4-ylpentyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N'-(4-methyl-2-morpholin-4-ylpentyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
• PubChem CID: 111041544
• Molecular Formula: C18H33IN6OS
• Molecular Weight: 508.47 g/mol
• Exact Mass: 508.15
• IUPAC Name: N'-(4-methyl-2-morpholin-4-ylpentyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
• SMILES: CC(C)CC(C/N=C(\N)N1CCN(c2nccs2)CC1)N1CCOCC1.I
• InChI: InChI=1S/C18H32N6OS.HI/c1-15(2)13-16(22-8-10-25-11-9-22)14-21-17(19)23-4-6-24(7-5-23)18-20-3-12-26-18;/h3,12,15-16H,4-11,13-14H2,1-2H3,(H2,19,21);1H
• InChIKey: TWLVEQOTZRDVHS-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 70.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.47
LogP ≤ 5	1.94
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'-(4-methyl-2-morpholin-4-ylpentyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?

The IUPAC name of N'-(4-methyl-2-morpholin-4-ylpentyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide (CID 111041544) is N'-(4-methyl-2-morpholin-4-ylpentyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide.

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

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

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

The InChIKey is TWLVEQOTZRDVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6OS.HI/c1-15(2)13-16(22-8-10-25-11-9-22)14-21-17(19)23-4-6-24(7-5-23)18-20-3-12-26-18;/h3,12,15-16H,4-11,13-14H2,1-2H3,(H2,19,21);1H.

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

N'-(4-methyl-2-morpholin-4-ylpentyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 508.47 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(4-methyl-2-morpholin-4-ylpentyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111041544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).