2-methyl-N-[6-(3-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazole-3-carboxamide

C21H23N7OS — CID 53206353

About 2-methyl-N-[6-(3-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazole-3-carboxamide

2-methyl-N-[6-(3-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazole-3-carboxamide (PubChem CID 53206353) has the molecular formula C21H23N7OS and a molecular weight of 421.53 g/mol. Its IUPAC name is 2-methyl-N-[6-(3-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[6-(3-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazole-3-carboxamide
• PubChem CID: 53206353
• Molecular Formula: C21H23N7OS
• Molecular Weight: 421.53 g/mol
• Exact Mass: 421.17
• IUPAC Name: 2-methyl-N-[6-(3-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazole-3-carboxamide
• SMILES: Cc1cccc(-c2nc3sc(N4CCCCC4)nn3c2NC(=O)c2ccnn2C)c1
• InChI: InChI=1S/C21H23N7OS/c1-14-7-6-8-15(13-14)17-18(24-19(29)16-9-10-22-26(16)2)28-20(23-17)30-21(25-28)27-11-4-3-5-12-27/h6-10,13H,3-5,11-12H2,1-2H3,(H,24,29)
• InChIKey: VRDZCPTXSCFZKD-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 80.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.53
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(3-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazole-3-carboxamide?

The IUPAC name of 2-methyl-N-[6-(3-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazole-3-carboxamide (CID 53206353) is 2-methyl-N-[6-(3-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazole-3-carboxamide.

What is the SMILES notation for 2-methyl-N-[6-(3-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazole-3-carboxamide?

The canonical SMILES for 2-methyl-N-[6-(3-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazole-3-carboxamide is Cc1cccc(-c2nc3sc(N4CCCCC4)nn3c2NC(=O)c2ccnn2C)c1.

What is the InChIKey of 2-methyl-N-[6-(3-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazole-3-carboxamide?

The InChIKey is VRDZCPTXSCFZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7OS/c1-14-7-6-8-15(13-14)17-18(24-19(29)16-9-10-22-26(16)2)28-20(23-17)30-21(25-28)27-11-4-3-5-12-27/h6-10,13H,3-5,11-12H2,1-2H3,(H,24,29).

What are the key properties of 2-methyl-N-[6-(3-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazole-3-carboxamide?

2-methyl-N-[6-(3-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazole-3-carboxamide has a molecular weight of 421.53 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[6-(3-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 53206353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).