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

C26H22F2N4O2S — CID 5187027

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

3-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-1-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]urea (PubChem CID 5187027) has the molecular formula C26H22F2N4O2S and a molecular weight of 492.55 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-1-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]urea.

Molecular Properties

• Compound Name: 3-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-1-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]urea
• PubChem CID: 5187027
• Molecular Formula: C26H22F2N4O2S
• Molecular Weight: 492.55 g/mol
• Exact Mass: 492.14
• IUPAC Name: 3-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-1-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]urea
• SMILES: Cc1ccc(-c2cn3c(CCN(Cc4ccco4)C(=O)Nc4ccc(F)cc4F)csc3n2)cc1
• InChI: InChI=1S/C26H22F2N4O2S/c1-17-4-6-18(7-5-17)24-15-32-20(16-35-26(32)30-24)10-11-31(14-21-3-2-12-34-21)25(33)29-23-9-8-19(27)13-22(23)28/h2-9,12-13,15-16H,10-11,14H2,1H3,(H,29,33)
• InChIKey: OINGGUDVPQNMGI-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 62.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.55
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-1-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]urea (CID 5187027) is 3-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-1-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]urea.

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

The canonical SMILES for 3-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-1-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]urea is Cc1ccc(-c2cn3c(CCN(Cc4ccco4)C(=O)Nc4ccc(F)cc4F)csc3n2)cc1.

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

The InChIKey is OINGGUDVPQNMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N4O2S/c1-17-4-6-18(7-5-17)24-15-32-20(16-35-26(32)30-24)10-11-31(14-21-3-2-12-34-21)25(33)29-23-9-8-19(27)13-22(23)28/h2-9,12-13,15-16H,10-11,14H2,1H3,(H,29,33).

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

3-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-1-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]urea has a molecular weight of 492.55 g/mol, XLogP of 6.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-1-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]urea is sourced from PubChem (CID 5187027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).