N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide

C19H28IN7OS — CID 111049345

About N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide

N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 111049345) has the molecular formula C19H28IN7OS and a molecular weight of 529.45 g/mol. Its IUPAC name is N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
• PubChem CID: 111049345
• Molecular Formula: C19H28IN7OS
• Molecular Weight: 529.45 g/mol
• Exact Mass: 529.11
• IUPAC Name: N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
• SMILES: CC1CN(c2ccc(C/N=C(\N)N3CCN(c4nccs4)CC3)cn2)CCO1.I
• InChI: InChI=1S/C19H27N7OS.HI/c1-15-14-26(9-10-27-15)17-3-2-16(12-22-17)13-23-18(20)24-5-7-25(8-6-24)19-21-4-11-28-19;/h2-4,11-12,15H,5-10,13-14H2,1H3,(H2,20,23);1H
• InChIKey: LACKWTCSVTYMAG-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 83.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.45
LogP ≤ 5	2.02
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'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?

The IUPAC name of N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide (CID 111049345) is N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?

The canonical SMILES for N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide is CC1CN(c2ccc(C/N=C(\N)N3CCN(c4nccs4)CC3)cn2)CCO1.I.

What is the InChIKey of N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?

The InChIKey is LACKWTCSVTYMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7OS.HI/c1-15-14-26(9-10-27-15)17-3-2-16(12-22-17)13-23-18(20)24-5-7-25(8-6-24)19-21-4-11-28-19;/h2-4,11-12,15H,5-10,13-14H2,1H3,(H2,20,23);1H.

What are the key properties of N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?

N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 529.45 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111049345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).