1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea

C26H24N4O2S2 — CID 4056072

About 1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea

1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea (PubChem CID 4056072) has the molecular formula C26H24N4O2S2 and a molecular weight of 488.64 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea
• PubChem CID: 4056072
• Molecular Formula: C26H24N4O2S2
• Molecular Weight: 488.64 g/mol
• Exact Mass: 488.13
• IUPAC Name: 1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea
• SMILES: CSc1ccc(NC(=O)N(CCc2csc3nc(-c4ccccc4)cn23)Cc2ccco2)cc1
• InChI: InChI=1S/C26H24N4O2S2/c1-33-23-11-9-20(10-12-23)27-25(31)29(16-22-8-5-15-32-22)14-13-21-18-34-26-28-24(17-30(21)26)19-6-3-2-4-7-19/h2-12,15,17-18H,13-14,16H2,1H3,(H,27,31)
• InChIKey: ZCMVXOVDGCHACO-UHFFFAOYSA-N
• XLogP: 6.65
• TPSA: 62.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.64
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea?

The IUPAC name of 1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea (CID 4056072) is 1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea.

What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea?

The canonical SMILES for 1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea is CSc1ccc(NC(=O)N(CCc2csc3nc(-c4ccccc4)cn23)Cc2ccco2)cc1.

What is the InChIKey of 1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea?

The InChIKey is ZCMVXOVDGCHACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2S2/c1-33-23-11-9-20(10-12-23)27-25(31)29(16-22-8-5-15-32-22)14-13-21-18-34-26-28-24(17-30(21)26)19-6-3-2-4-7-19/h2-12,15,17-18H,13-14,16H2,1H3,(H,27,31).

What are the key properties of 1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea?

1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea has a molecular weight of 488.64 g/mol, XLogP of 6.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea is sourced from PubChem (CID 4056072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).