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

C25H32N6O2S — CID 50825840

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

[4-[5-(cyclopentylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 50825840) has the molecular formula C25H32N6O2S and a molecular weight of 480.64 g/mol. Its IUPAC name is [4-[5-(cyclopentylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

• Compound Name: [4-[5-(cyclopentylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
• PubChem CID: 50825840
• Molecular Formula: C25H32N6O2S
• Molecular Weight: 480.64 g/mol
• Exact Mass: 480.23
• IUPAC Name: [4-[5-(cyclopentylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
• SMILES: Cc1ccc(-c2nc3sc(N4CCN(C(=O)C5CCCO5)CC4)nn3c2NC2CCCC2)cc1
• InChI: InChI=1S/C25H32N6O2S/c1-17-8-10-18(11-9-17)21-22(26-19-5-2-3-6-19)31-24(27-21)34-25(28-31)30-14-12-29(13-15-30)23(32)20-7-4-16-33-20/h8-11,19-20,26H,2-7,12-16H2,1H3
• InChIKey: JQIFCEIYIBNUOL-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 75.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.64
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of [4-[5-(cyclopentylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(oxolan-2-yl)methanone (CID 50825840) is [4-[5-(cyclopentylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(oxolan-2-yl)methanone.

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

The canonical SMILES for [4-[5-(cyclopentylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(oxolan-2-yl)methanone is Cc1ccc(-c2nc3sc(N4CCN(C(=O)C5CCCO5)CC4)nn3c2NC2CCCC2)cc1.

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

The InChIKey is JQIFCEIYIBNUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2S/c1-17-8-10-18(11-9-17)21-22(26-19-5-2-3-6-19)31-24(27-21)34-25(28-31)30-14-12-29(13-15-30)23(32)20-7-4-16-33-20/h8-11,19-20,26H,2-7,12-16H2,1H3.

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

[4-[5-(cyclopentylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 480.64 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-(cyclopentylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 50825840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).