1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine

C19H34N4O2S — CID 111408609

About 1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine

1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine (PubChem CID 111408609) has the molecular formula C19H34N4O2S and a molecular weight of 382.57 g/mol. Its IUPAC name is 1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine.

Molecular Properties

• Compound Name: 1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine
• PubChem CID: 111408609
• Molecular Formula: C19H34N4O2S
• Molecular Weight: 382.57 g/mol
• Exact Mass: 382.24
• IUPAC Name: 1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine
• SMILES: CCN/C(=N\CCCOCC1CCCO1)NCCc1csc(C(C)C)n1
• InChI: InChI=1S/C19H34N4O2S/c1-4-20-19(21-9-6-11-24-13-17-7-5-12-25-17)22-10-8-16-14-26-18(23-16)15(2)3/h14-15,17H,4-13H2,1-3H3,(H2,20,21,22)
• InChIKey: UQHHCTWSJDBSHE-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 67.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.57
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine?

The IUPAC name of 1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine (CID 111408609) is 1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine.

What is the SMILES notation for 1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine?

The canonical SMILES for 1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine is CCN/C(=N\CCCOCC1CCCO1)NCCc1csc(C(C)C)n1.

What is the InChIKey of 1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine?

The InChIKey is UQHHCTWSJDBSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2S/c1-4-20-19(21-9-6-11-24-13-17-7-5-12-25-17)22-10-8-16-14-26-18(23-16)15(2)3/h14-15,17H,4-13H2,1-3H3,(H2,20,21,22).

What are the key properties of 1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine?

1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine has a molecular weight of 382.57 g/mol, XLogP of 2.95, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine is sourced from PubChem (CID 111408609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).