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

C₁₉H₂₅N₅OS — CID 111686328

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

1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methylphenoxy)propyl]guanidine (PubChem CID 111686328) has the molecular formula C₁₉H₂₅N₅OS and a molecular weight of 371.51 g/mol. Its IUPAC name is 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methylphenoxy)propyl]guanidine.

Molecular Properties

• Compound Name: 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methylphenoxy)propyl]guanidine
• PubChem CID: 111686328
• Molecular Formula: C₁₉H₂₅N₅OS
• Molecular Weight: 371.51 g/mol
• Exact Mass: 371.18
• IUPAC Name: 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methylphenoxy)propyl]guanidine
• SMILES: CCN/C(=N\Cc1cn2ccsc2n1)NCC(C)Oc1ccccc1C
• InChI: InChI=1S/C19H25N5OS/c1-4-20-18(22-12-16-13-24-9-10-26-19(24)23-16)21-11-15(3)25-17-8-6-5-7-14(17)2/h5-10,13,15H,4,11-12H2,1-3H3,(H2,20,21,22)
• InChIKey: BXCUXSAESJTHKH-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 62.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.51
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-methylphenoxy)propyl]guanidine?

The IUPAC name of 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methylphenoxy)propyl]guanidine (CID 111686328) is 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methylphenoxy)propyl]guanidine.

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

The canonical SMILES for 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methylphenoxy)propyl]guanidine is CCN/C(=N\Cc1cn2ccsc2n1)NCC(C)Oc1ccccc1C.

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

The InChIKey is BXCUXSAESJTHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c1-4-20-18(22-12-16-13-24-9-10-26-19(24)23-16)21-11-15(3)25-17-8-6-5-7-14(17)2/h5-10,13,15H,4,11-12H2,1-3H3,(H2,20,21,22).

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

1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methylphenoxy)propyl]guanidine has a molecular weight of 371.51 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 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-methylphenoxy)propyl]guanidine is sourced from PubChem (CID 111686328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 111686328 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.