N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide

C25H20FN3O2S — CID 5057421

About N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide

N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 5057421) has the molecular formula C25H20FN3O2S and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide
• PubChem CID: 5057421
• Molecular Formula: C25H20FN3O2S
• Molecular Weight: 445.52 g/mol
• Exact Mass: 445.13
• IUPAC Name: N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide
• SMILES: O=C(c1ccccc1)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)Cc1ccco1
• InChI: InChI=1S/C25H20FN3O2S/c26-20-10-8-18(9-11-20)23-16-29-21(17-32-25(29)27-23)12-13-28(15-22-7-4-14-31-22)24(30)19-5-2-1-3-6-19/h1-11,14,16-17H,12-13,15H2
• InChIKey: VNTFQUFQUQYSGK-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 50.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.52
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide (CID 5057421) is N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide.

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

The canonical SMILES for N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide is O=C(c1ccccc1)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)Cc1ccco1.

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

The InChIKey is VNTFQUFQUQYSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O2S/c26-20-10-8-18(9-11-20)23-16-29-21(17-32-25(29)27-23)12-13-28(15-22-7-4-14-31-22)24(30)19-5-2-1-3-6-19/h1-11,14,16-17H,12-13,15H2.

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

N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 445.52 g/mol, XLogP of 5.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 5057421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).