1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine;hydroiodide

C19H33IN6OS — CID 111936568

About 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine;hydroiodide

1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine;hydroiodide (PubChem CID 111936568) has the molecular formula C19H33IN6OS and a molecular weight of 520.49 g/mol. Its IUPAC name is 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine;hydroiodide
• PubChem CID: 111936568
• Molecular Formula: C19H33IN6OS
• Molecular Weight: 520.49 g/mol
• Exact Mass: 520.15
• IUPAC Name: 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine;hydroiodide
• SMILES: CCC(CC)C(CN/C(=N\C)NCc1cn2ccsc2n1)N1CCOCC1.I
• InChI: InChI=1S/C19H32N6OS.HI/c1-4-15(5-2)17(24-6-9-26-10-7-24)13-22-18(20-3)21-12-16-14-25-8-11-27-19(25)23-16;/h8,11,14-15,17H,4-7,9-10,12-13H2,1-3H3,(H2,20,21,22);1H
• InChIKey: VVVVUTJMPQWSES-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 66.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.49
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	2
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 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine;hydroiodide?

The IUPAC name of 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine;hydroiodide (CID 111936568) is 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine;hydroiodide.

What is the SMILES notation for 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine;hydroiodide?

The canonical SMILES for 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine;hydroiodide is CCC(CC)C(CN/C(=N\C)NCc1cn2ccsc2n1)N1CCOCC1.I.

What is the InChIKey of 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine;hydroiodide?

The InChIKey is VVVVUTJMPQWSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6OS.HI/c1-4-15(5-2)17(24-6-9-26-10-7-24)13-22-18(20-3)21-12-16-14-25-8-11-27-19(25)23-16;/h8,11,14-15,17H,4-7,9-10,12-13H2,1-3H3,(H2,20,21,22);1H.

What are the key properties of 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine;hydroiodide?

1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine;hydroiodide has a molecular weight of 520.49 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111936568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).