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

C22H19F2N3OS — CID 30940055

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

N-[2-(4-fluorophenyl)ethyl]-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide (PubChem CID 30940055) has the molecular formula C22H19F2N3OS and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[2-(4-fluorophenyl)ethyl]-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
• PubChem CID: 30940055
• Molecular Formula: C22H19F2N3OS
• Molecular Weight: 411.48 g/mol
• Exact Mass: 411.12
• IUPAC Name: N-[2-(4-fluorophenyl)ethyl]-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
• SMILES: O=C(CCc1csc2nc(-c3ccccc3F)cn12)NCCc1ccc(F)cc1
• InChI: InChI=1S/C22H19F2N3OS/c23-16-7-5-15(6-8-16)11-12-25-21(28)10-9-17-14-29-22-26-20(13-27(17)22)18-3-1-2-4-19(18)24/h1-8,13-14H,9-12H2,(H,25,28)
• InChIKey: GFDOPFKZZQHKTC-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 46.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.48
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide (CID 30940055) is N-[2-(4-fluorophenyl)ethyl]-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide.

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

The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide is O=C(CCc1csc2nc(-c3ccccc3F)cn12)NCCc1ccc(F)cc1.

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

The InChIKey is GFDOPFKZZQHKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3OS/c23-16-7-5-15(6-8-16)11-12-25-21(28)10-9-17-14-29-22-26-20(13-27(17)22)18-3-1-2-4-19(18)24/h1-8,13-14H,9-12H2,(H,25,28).

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

N-[2-(4-fluorophenyl)ethyl]-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide has a molecular weight of 411.48 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-fluorophenyl)ethyl]-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide is sourced from PubChem (CID 30940055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).