N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide

C24H26N4O4S — CID 55567674

About N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide

N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (PubChem CID 55567674) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
• PubChem CID: 55567674
• Molecular Formula: C24H26N4O4S
• Molecular Weight: 466.56 g/mol
• Exact Mass: 466.17
• IUPAC Name: N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
• SMILES: CC(=O)NC(C)c1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4ccoc4)CC3)n2)cc1
• InChI: InChI=1S/C24H26N4O4S/c1-15(25-16(2)29)17-3-5-18(6-4-17)21-14-33-24(26-21)27-22(30)19-7-10-28(11-8-19)23(31)20-9-12-32-13-20/h3-6,9,12-15,19H,7-8,10-11H2,1-2H3,(H,25,29)(H,26,27,30)
• InChIKey: ADJJXYJKKLFUOV-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 104.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.56
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?

The IUPAC name of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (CID 55567674) is N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.

What is the SMILES notation for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?

The canonical SMILES for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is CC(=O)NC(C)c1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4ccoc4)CC3)n2)cc1.

What is the InChIKey of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?

The InChIKey is ADJJXYJKKLFUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-15(25-16(2)29)17-3-5-18(6-4-17)21-14-33-24(26-21)27-22(30)19-7-10-28(11-8-19)23(31)20-9-12-32-13-20/h3-6,9,12-15,19H,7-8,10-11H2,1-2H3,(H,25,29)(H,26,27,30).

What are the key properties of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?

N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 466.56 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55567674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).