2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide

C20H20FN5OS2 — CID 24555263

About 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide

2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 24555263) has the molecular formula C20H20FN5OS2 and a molecular weight of 429.55 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
• PubChem CID: 24555263
• Molecular Formula: C20H20FN5OS2
• Molecular Weight: 429.55 g/mol
• Exact Mass: 429.11
• IUPAC Name: 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
• SMILES: CCC(CC)c1nnc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)s1
• InChI: InChI=1S/C20H20FN5OS2/c1-3-12(4-2)18-24-25-19(29-18)23-17(27)9-15-11-28-20-22-16(10-26(15)20)13-5-7-14(21)8-6-13/h5-8,10-12H,3-4,9H2,1-2H3,(H,23,25,27)
• InChIKey: NBCLEZZXICLCPE-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.55
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?

The IUPAC name of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 24555263) is 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide.

What is the SMILES notation for 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?

The canonical SMILES for 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide is CCC(CC)c1nnc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)s1.

What is the InChIKey of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?

The InChIKey is NBCLEZZXICLCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5OS2/c1-3-12(4-2)18-24-25-19(29-18)23-17(27)9-15-11-28-20-22-16(10-26(15)20)13-5-7-14(21)8-6-13/h5-8,10-12H,3-4,9H2,1-2H3,(H,23,25,27).

What are the key properties of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?

2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 429.55 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 24555263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).