N-cyclopentyl-2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]acetamide

C21H25FN6OS — CID 55915881

About N-cyclopentyl-2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]acetamide

N-cyclopentyl-2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]acetamide (PubChem CID 55915881) has the molecular formula C21H25FN6OS and a molecular weight of 428.54 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]acetamide
• PubChem CID: 55915881
• Molecular Formula: C21H25FN6OS
• Molecular Weight: 428.54 g/mol
• Exact Mass: 428.18
• IUPAC Name: N-cyclopentyl-2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]acetamide
• SMILES: O=C(CN1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1)NC1CCCC1
• InChI: InChI=1S/C21H25FN6OS/c22-16-7-5-15(6-8-16)18-13-28-20(24-18)30-21(25-28)27-11-9-26(10-12-27)14-19(29)23-17-3-1-2-4-17/h5-8,13,17H,1-4,9-12,14H2,(H,23,29)
• InChIKey: BLNDDPBQMFVJOP-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 65.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.54
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-cyclopentyl-2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]acetamide (CID 55915881) is N-cyclopentyl-2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]acetamide.

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

The canonical SMILES for N-cyclopentyl-2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]acetamide is O=C(CN1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1)NC1CCCC1.

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

The InChIKey is BLNDDPBQMFVJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6OS/c22-16-7-5-15(6-8-16)18-13-28-20(24-18)30-21(25-28)27-11-9-26(10-12-27)14-19(29)23-17-3-1-2-4-17/h5-8,13,17H,1-4,9-12,14H2,(H,23,29).

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

N-cyclopentyl-2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]acetamide has a molecular weight of 428.54 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55915881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).