N'-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide

C19H29IN6OS2 — CID 111722032

About N'-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide

N'-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 111722032) has the molecular formula C19H29IN6OS2 and a molecular weight of 548.52 g/mol. Its IUPAC name is N'-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N'-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
• PubChem CID: 111722032
• Molecular Formula: C19H29IN6OS2
• Molecular Weight: 548.52 g/mol
• Exact Mass: 548.09
• IUPAC Name: N'-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
• SMILES: CC1CN(C(C/N=C(\N)N2CCN(c3nccs3)CC2)c2cccs2)CCO1.I
• InChI: InChI=1S/C19H28N6OS2.HI/c1-15-14-25(9-10-26-15)16(17-3-2-11-27-17)13-22-18(20)23-5-7-24(8-6-23)19-21-4-12-28-19;/h2-4,11-12,15-16H,5-10,13-14H2,1H3,(H2,20,22);1H
• InChIKey: RALYJXVBGJOQDN-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 70.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.52
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?

The IUPAC name of N'-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide (CID 111722032) is N'-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N'-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?

The canonical SMILES for N'-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide is CC1CN(C(C/N=C(\N)N2CCN(c3nccs3)CC2)c2cccs2)CCO1.I.

What is the InChIKey of N'-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?

The InChIKey is RALYJXVBGJOQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6OS2.HI/c1-15-14-25(9-10-26-15)16(17-3-2-11-27-17)13-22-18(20)23-5-7-24(8-6-23)19-21-4-12-28-19;/h2-4,11-12,15-16H,5-10,13-14H2,1H3,(H2,20,22);1H.

What are the key properties of N'-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?

N'-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 548.52 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111722032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).