1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide

C19H26IN5O2S — CID 111682321

About 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide

1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide (PubChem CID 111682321) has the molecular formula C19H26IN5O2S and a molecular weight of 515.42 g/mol. Its IUPAC name is 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
• PubChem CID: 111682321
• Molecular Formula: C19H26IN5O2S
• Molecular Weight: 515.42 g/mol
• Exact Mass: 515.09
• IUPAC Name: 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
• SMILES: CCN/C(=N\Cc1cn2ccsc2n1)NCC(C)Oc1ccccc1OC.I
• InChI: InChI=1S/C19H25N5O2S.HI/c1-4-20-18(22-12-15-13-24-9-10-27-19(24)23-15)21-11-14(2)26-17-8-6-5-7-16(17)25-3;/h5-10,13-14H,4,11-12H2,1-3H3,(H2,20,21,22);1H
• InChIKey: ZSXOXYMQMVMMPD-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 72.18 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	515.42
LogP ≤ 5	3.55
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-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide?

The IUPAC name of 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide (CID 111682321) is 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide.

What is the SMILES notation for 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide?

The canonical SMILES for 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide is CCN/C(=N\Cc1cn2ccsc2n1)NCC(C)Oc1ccccc1OC.I.

What is the InChIKey of 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide?

The InChIKey is ZSXOXYMQMVMMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S.HI/c1-4-20-18(22-12-15-13-24-9-10-27-19(24)23-15)21-11-14(2)26-17-8-6-5-7-16(17)25-3;/h5-10,13-14H,4,11-12H2,1-3H3,(H2,20,21,22);1H.

What are the key properties of 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide?

1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide has a molecular weight of 515.42 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111682321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).