2-[1-[3-(furan-2-yl)propanoyl]piperidin-4-yl]-N-(5-methoxy-2-phenylphenyl)-1,3-thiazole-4-carboxamide

C29H29N3O4S — CID 59210252

About 2-[1-[3-(furan-2-yl)propanoyl]piperidin-4-yl]-N-(5-methoxy-2-phenylphenyl)-1,3-thiazole-4-carboxamide

2-[1-[3-(furan-2-yl)propanoyl]piperidin-4-yl]-N-(5-methoxy-2-phenylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 59210252) has the molecular formula C29H29N3O4S and a molecular weight of 515.64 g/mol. Its IUPAC name is 2-[1-[3-(furan-2-yl)propanoyl]piperidin-4-yl]-N-(5-methoxy-2-phenylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[1-[3-(furan-2-yl)propanoyl]piperidin-4-yl]-N-(5-methoxy-2-phenylphenyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 59210252
• Molecular Formula: C29H29N3O4S
• Molecular Weight: 515.64 g/mol
• Exact Mass: 515.19
• IUPAC Name: 2-[1-[3-(furan-2-yl)propanoyl]piperidin-4-yl]-N-(5-methoxy-2-phenylphenyl)-1,3-thiazole-4-carboxamide
• SMILES: COc1ccc(-c2ccccc2)c(NC(=O)c2csc(C3CCN(C(=O)CCc4ccco4)CC3)n2)c1
• InChI: InChI=1S/C29H29N3O4S/c1-35-23-9-11-24(20-6-3-2-4-7-20)25(18-23)30-28(34)26-19-37-29(31-26)21-13-15-32(16-14-21)27(33)12-10-22-8-5-17-36-22/h2-9,11,17-19,21H,10,12-16H2,1H3,(H,30,34)
• InChIKey: XXWBVCSDZWBCAN-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 84.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.64
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(furan-2-yl)propanoyl]piperidin-4-yl]-N-(5-methoxy-2-phenylphenyl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[1-[3-(furan-2-yl)propanoyl]piperidin-4-yl]-N-(5-methoxy-2-phenylphenyl)-1,3-thiazole-4-carboxamide (CID 59210252) is 2-[1-[3-(furan-2-yl)propanoyl]piperidin-4-yl]-N-(5-methoxy-2-phenylphenyl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[1-[3-(furan-2-yl)propanoyl]piperidin-4-yl]-N-(5-methoxy-2-phenylphenyl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[1-[3-(furan-2-yl)propanoyl]piperidin-4-yl]-N-(5-methoxy-2-phenylphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(-c2ccccc2)c(NC(=O)c2csc(C3CCN(C(=O)CCc4ccco4)CC3)n2)c1.

What is the InChIKey of 2-[1-[3-(furan-2-yl)propanoyl]piperidin-4-yl]-N-(5-methoxy-2-phenylphenyl)-1,3-thiazole-4-carboxamide?

The InChIKey is XXWBVCSDZWBCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O4S/c1-35-23-9-11-24(20-6-3-2-4-7-20)25(18-23)30-28(34)26-19-37-29(31-26)21-13-15-32(16-14-21)27(33)12-10-22-8-5-17-36-22/h2-9,11,17-19,21H,10,12-16H2,1H3,(H,30,34).

What are the key properties of 2-[1-[3-(furan-2-yl)propanoyl]piperidin-4-yl]-N-(5-methoxy-2-phenylphenyl)-1,3-thiazole-4-carboxamide?

2-[1-[3-(furan-2-yl)propanoyl]piperidin-4-yl]-N-(5-methoxy-2-phenylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 515.64 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[3-(furan-2-yl)propanoyl]piperidin-4-yl]-N-(5-methoxy-2-phenylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59210252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).