1-benzyl-3-cyclohexyl-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea

C27H30N4OS — CID 3312773

About 1-benzyl-3-cyclohexyl-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea

1-benzyl-3-cyclohexyl-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea (PubChem CID 3312773) has the molecular formula C27H30N4OS and a molecular weight of 458.63 g/mol. Its IUPAC name is 1-benzyl-3-cyclohexyl-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-benzyl-3-cyclohexyl-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea
• PubChem CID: 3312773
• Molecular Formula: C27H30N4OS
• Molecular Weight: 458.63 g/mol
• Exact Mass: 458.21
• IUPAC Name: 1-benzyl-3-cyclohexyl-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea
• SMILES: O=C(NC1CCCCC1)N(CCc1csc2nc(-c3ccccc3)cn12)Cc1ccccc1
• InChI: InChI=1S/C27H30N4OS/c32-26(28-23-14-8-3-9-15-23)30(18-21-10-4-1-5-11-21)17-16-24-20-33-27-29-25(19-31(24)27)22-12-6-2-7-13-22/h1-2,4-7,10-13,19-20,23H,3,8-9,14-18H2,(H,28,32)
• InChIKey: OLLZRUBTQOPBED-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 49.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.63
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-cyclohexyl-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea?

The IUPAC name of 1-benzyl-3-cyclohexyl-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea (CID 3312773) is 1-benzyl-3-cyclohexyl-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea.

What is the SMILES notation for 1-benzyl-3-cyclohexyl-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea?

The canonical SMILES for 1-benzyl-3-cyclohexyl-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea is O=C(NC1CCCCC1)N(CCc1csc2nc(-c3ccccc3)cn12)Cc1ccccc1.

What is the InChIKey of 1-benzyl-3-cyclohexyl-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea?

The InChIKey is OLLZRUBTQOPBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4OS/c32-26(28-23-14-8-3-9-15-23)30(18-21-10-4-1-5-11-21)17-16-24-20-33-27-29-25(19-31(24)27)22-12-6-2-7-13-22/h1-2,4-7,10-13,19-20,23H,3,8-9,14-18H2,(H,28,32).

What are the key properties of 1-benzyl-3-cyclohexyl-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea?

1-benzyl-3-cyclohexyl-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea has a molecular weight of 458.63 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-3-cyclohexyl-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea is sourced from PubChem (CID 3312773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).