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

C27H26N4O2S — CID 42788883

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

1-(furan-2-ylmethyl)-3-(4-methylphenyl)-1-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]urea (PubChem CID 42788883) has the molecular formula C27H26N4O2S and a molecular weight of 470.60 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(4-methylphenyl)-1-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]urea.

Molecular Properties

• Compound Name: 1-(furan-2-ylmethyl)-3-(4-methylphenyl)-1-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]urea
• PubChem CID: 42788883
• Molecular Formula: C27H26N4O2S
• Molecular Weight: 470.60 g/mol
• Exact Mass: 470.18
• IUPAC Name: 1-(furan-2-ylmethyl)-3-(4-methylphenyl)-1-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]urea
• SMILES: Cc1ccc(NC(=O)N(CCc2csc3nc(-c4ccc(C)cc4)cn23)Cc2ccco2)cc1
• InChI: InChI=1S/C27H26N4O2S/c1-19-5-9-21(10-6-19)25-17-31-23(18-34-27(31)29-25)13-14-30(16-24-4-3-15-33-24)26(32)28-22-11-7-20(2)8-12-22/h3-12,15,17-18H,13-14,16H2,1-2H3,(H,28,32)
• InChIKey: YSFCGCGDVZSFDN-UHFFFAOYSA-N
• XLogP: 6.55
• TPSA: 62.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.60
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-(furan-2-ylmethyl)-3-(4-methylphenyl)-1-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]urea (CID 42788883) is 1-(furan-2-ylmethyl)-3-(4-methylphenyl)-1-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]urea.

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

The canonical SMILES for 1-(furan-2-ylmethyl)-3-(4-methylphenyl)-1-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]urea is Cc1ccc(NC(=O)N(CCc2csc3nc(-c4ccc(C)cc4)cn23)Cc2ccco2)cc1.

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

The InChIKey is YSFCGCGDVZSFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2S/c1-19-5-9-21(10-6-19)25-17-31-23(18-34-27(31)29-25)13-14-30(16-24-4-3-15-33-24)26(32)28-22-11-7-20(2)8-12-22/h3-12,15,17-18H,13-14,16H2,1-2H3,(H,28,32).

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

1-(furan-2-ylmethyl)-3-(4-methylphenyl)-1-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]urea has a molecular weight of 470.60 g/mol, XLogP of 6.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(furan-2-ylmethyl)-3-(4-methylphenyl)-1-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]urea is sourced from PubChem (CID 42788883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).