2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2-methylquinolin-4-yl)-1,3-thiazole-4-carboxamide

C28H24N4O3S — CID 23935966

About 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2-methylquinolin-4-yl)-1,3-thiazole-4-carboxamide

2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2-methylquinolin-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 23935966) has the molecular formula C28H24N4O3S and a molecular weight of 496.59 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2-methylquinolin-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2-methylquinolin-4-yl)-1,3-thiazole-4-carboxamide
• PubChem CID: 23935966
• Molecular Formula: C28H24N4O3S
• Molecular Weight: 496.59 g/mol
• Exact Mass: 496.16
• IUPAC Name: 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2-methylquinolin-4-yl)-1,3-thiazole-4-carboxamide
• SMILES: Cc1cc(NC(=O)c2csc(C3CCN(C(=O)c4cc5ccccc5o4)CC3)n2)c2ccccc2n1
• InChI: InChI=1S/C28H24N4O3S/c1-17-14-22(20-7-3-4-8-21(20)29-17)30-26(33)23-16-36-27(31-23)18-10-12-32(13-11-18)28(34)25-15-19-6-2-5-9-24(19)35-25/h2-9,14-16,18H,10-13H2,1H3,(H,29,30,33)
• InChIKey: BEMIAWUBLYLEJD-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.59
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2-methylquinolin-4-yl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2-methylquinolin-4-yl)-1,3-thiazole-4-carboxamide (CID 23935966) is 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2-methylquinolin-4-yl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2-methylquinolin-4-yl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2-methylquinolin-4-yl)-1,3-thiazole-4-carboxamide is Cc1cc(NC(=O)c2csc(C3CCN(C(=O)c4cc5ccccc5o4)CC3)n2)c2ccccc2n1.

What is the InChIKey of 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2-methylquinolin-4-yl)-1,3-thiazole-4-carboxamide?

The InChIKey is BEMIAWUBLYLEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O3S/c1-17-14-22(20-7-3-4-8-21(20)29-17)30-26(33)23-16-36-27(31-23)18-10-12-32(13-11-18)28(34)25-15-19-6-2-5-9-24(19)35-25/h2-9,14-16,18H,10-13H2,1H3,(H,29,30,33).

What are the key properties of 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2-methylquinolin-4-yl)-1,3-thiazole-4-carboxamide?

2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2-methylquinolin-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 496.59 g/mol, XLogP of 6.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2-methylquinolin-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 23935966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).