cyclopentyl-[4-[5-(cyclopentylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methanone

C25H31FN6OS — CID 50825777

About cyclopentyl-[4-[5-(cyclopentylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methanone

cyclopentyl-[4-[5-(cyclopentylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methanone (PubChem CID 50825777) has the molecular formula C25H31FN6OS and a molecular weight of 482.63 g/mol. Its IUPAC name is cyclopentyl-[4-[5-(cyclopentylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclopentyl-[4-[5-(cyclopentylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methanone
• PubChem CID: 50825777
• Molecular Formula: C25H31FN6OS
• Molecular Weight: 482.63 g/mol
• Exact Mass: 482.23
• IUPAC Name: cyclopentyl-[4-[5-(cyclopentylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methanone
• SMILES: O=C(C1CCCC1)N1CCN(c2nn3c(NC4CCCC4)c(-c4cccc(F)c4)nc3s2)CC1
• InChI: InChI=1S/C25H31FN6OS/c26-19-9-5-8-18(16-19)21-22(27-20-10-3-4-11-20)32-24(28-21)34-25(29-32)31-14-12-30(13-15-31)23(33)17-6-1-2-7-17/h5,8-9,16-17,20,27H,1-4,6-7,10-15H2
• InChIKey: QYVCRDVFQHMGIU-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 65.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.63
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[5-(cyclopentylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methanone?

The IUPAC name of cyclopentyl-[4-[5-(cyclopentylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methanone (CID 50825777) is cyclopentyl-[4-[5-(cyclopentylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methanone.

What is the SMILES notation for cyclopentyl-[4-[5-(cyclopentylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methanone?

The canonical SMILES for cyclopentyl-[4-[5-(cyclopentylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methanone is O=C(C1CCCC1)N1CCN(c2nn3c(NC4CCCC4)c(-c4cccc(F)c4)nc3s2)CC1.

What is the InChIKey of cyclopentyl-[4-[5-(cyclopentylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methanone?

The InChIKey is QYVCRDVFQHMGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN6OS/c26-19-9-5-8-18(16-19)21-22(27-20-10-3-4-11-20)32-24(28-21)34-25(29-32)31-14-12-30(13-15-31)23(33)17-6-1-2-7-17/h5,8-9,16-17,20,27H,1-4,6-7,10-15H2.

What are the key properties of cyclopentyl-[4-[5-(cyclopentylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methanone?

cyclopentyl-[4-[5-(cyclopentylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methanone has a molecular weight of 482.63 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl-[4-[5-(cyclopentylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 50825777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).