[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone

C20H23FN6OS — CID 133279942

About [4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone

[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone (PubChem CID 133279942) has the molecular formula C20H23FN6OS and a molecular weight of 414.51 g/mol. Its IUPAC name is [4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone.

Molecular Properties

• Compound Name: [4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
• PubChem CID: 133279942
• Molecular Formula: C20H23FN6OS
• Molecular Weight: 414.51 g/mol
• Exact Mass: 414.16
• IUPAC Name: [4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
• SMILES: CN1CCCC1C(=O)N1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1
• InChI: InChI=1S/C20H23FN6OS/c1-24-8-2-3-17(24)18(28)25-9-11-26(12-10-25)20-23-27-13-16(22-19(27)29-20)14-4-6-15(21)7-5-14/h4-7,13,17H,2-3,8-12H2,1H3
• InChIKey: WMDVWROTKIHIIY-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 56.98 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.51
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone?

The IUPAC name of [4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone (CID 133279942) is [4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone.

What is the SMILES notation for [4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone?

The canonical SMILES for [4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone is CN1CCCC1C(=O)N1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1.

What is the InChIKey of [4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone?

The InChIKey is WMDVWROTKIHIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6OS/c1-24-8-2-3-17(24)18(28)25-9-11-26(12-10-25)20-23-27-13-16(22-19(27)29-20)14-4-6-15(21)7-5-14/h4-7,13,17H,2-3,8-12H2,1H3.

What are the key properties of [4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone?

[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone has a molecular weight of 414.51 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 133279942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).