2-(4-methoxypiperidin-1-yl)-N-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]acetamide

C19H22N6O2S — CID 138589269

About 2-(4-methoxypiperidin-1-yl)-N-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]acetamide

2-(4-methoxypiperidin-1-yl)-N-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]acetamide (PubChem CID 138589269) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is 2-(4-methoxypiperidin-1-yl)-N-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-methoxypiperidin-1-yl)-N-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]acetamide
• PubChem CID: 138589269
• Molecular Formula: C19H22N6O2S
• Molecular Weight: 398.49 g/mol
• Exact Mass: 398.15
• IUPAC Name: 2-(4-methoxypiperidin-1-yl)-N-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]acetamide
• SMILES: COC1CCN(CC(=O)Nc2ncc3ccc(-c4nnc(C)s4)cc3n2)CC1
• InChI: InChI=1S/C19H22N6O2S/c1-12-23-24-18(28-12)13-3-4-14-10-20-19(21-16(14)9-13)22-17(26)11-25-7-5-15(27-2)6-8-25/h3-4,9-10,15H,5-8,11H2,1-2H3,(H,20,21,22,26)
• InChIKey: YOZICYPCAKWVBK-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 93.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.49
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypiperidin-1-yl)-N-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]acetamide?

The IUPAC name of 2-(4-methoxypiperidin-1-yl)-N-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]acetamide (CID 138589269) is 2-(4-methoxypiperidin-1-yl)-N-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]acetamide.

What is the SMILES notation for 2-(4-methoxypiperidin-1-yl)-N-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]acetamide?

The canonical SMILES for 2-(4-methoxypiperidin-1-yl)-N-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]acetamide is COC1CCN(CC(=O)Nc2ncc3ccc(-c4nnc(C)s4)cc3n2)CC1.

What is the InChIKey of 2-(4-methoxypiperidin-1-yl)-N-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]acetamide?

The InChIKey is YOZICYPCAKWVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-12-23-24-18(28-12)13-3-4-14-10-20-19(21-16(14)9-13)22-17(26)11-25-7-5-15(27-2)6-8-25/h3-4,9-10,15H,5-8,11H2,1-2H3,(H,20,21,22,26).

What are the key properties of 2-(4-methoxypiperidin-1-yl)-N-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]acetamide?

2-(4-methoxypiperidin-1-yl)-N-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]acetamide has a molecular weight of 398.49 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxypiperidin-1-yl)-N-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]acetamide is sourced from PubChem (CID 138589269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).