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

C27H21F2N3OS — CID 5065946

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

N-benzyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide (PubChem CID 5065946) has the molecular formula C27H21F2N3OS and a molecular weight of 473.55 g/mol. Its IUPAC name is N-benzyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: N-benzyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide
• PubChem CID: 5065946
• Molecular Formula: C27H21F2N3OS
• Molecular Weight: 473.55 g/mol
• Exact Mass: 473.14
• IUPAC Name: N-benzyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide
• SMILES: O=C(c1ccccc1F)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)Cc1ccccc1
• InChI: InChI=1S/C27H21F2N3OS/c28-21-12-10-20(11-13-21)25-17-32-22(18-34-27(32)30-25)14-15-31(16-19-6-2-1-3-7-19)26(33)23-8-4-5-9-24(23)29/h1-13,17-18H,14-16H2
• InChIKey: NOYYCFSKYCDNJB-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 37.61 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.55
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-benzyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide (CID 5065946) is N-benzyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide.

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

The canonical SMILES for N-benzyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide is O=C(c1ccccc1F)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)Cc1ccccc1.

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

The InChIKey is NOYYCFSKYCDNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2N3OS/c28-21-12-10-20(11-13-21)25-17-32-22(18-34-27(32)30-25)14-15-31(16-19-6-2-1-3-7-19)26(33)23-8-4-5-9-24(23)29/h1-13,17-18H,14-16H2.

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

N-benzyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide has a molecular weight of 473.55 g/mol, XLogP of 6.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide is sourced from PubChem (CID 5065946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).