N-(3-chlorophenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid

C22H23ClN4O6S — CID 71780580

About N-(3-chlorophenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid

N-(3-chlorophenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid (PubChem CID 71780580) has the molecular formula C22H23ClN4O6S and a molecular weight of 506.97 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid
• PubChem CID: 71780580
• Molecular Formula: C22H23ClN4O6S
• Molecular Weight: 506.97 g/mol
• Exact Mass: 506.10
• IUPAC Name: N-(3-chlorophenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid
• SMILES: O=C(CN1CCN(Cc2nc(-c3ccco3)cs2)CC1)Nc1cccc(Cl)c1.O=C(O)C(=O)O
• InChI: InChI=1S/C20H21ClN4O2S.C2H2O4/c21-15-3-1-4-16(11-15)22-19(26)12-24-6-8-25(9-7-24)13-20-23-17(14-28-20)18-5-2-10-27-18;3-1(4)2(5)6/h1-5,10-11,14H,6-9,12-13H2,(H,22,26);(H,3,4)(H,5,6)
• InChIKey: QCSDLQQRADNHRQ-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 136.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.97
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid?

The IUPAC name of N-(3-chlorophenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid (CID 71780580) is N-(3-chlorophenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid.

What is the SMILES notation for N-(3-chlorophenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid?

The canonical SMILES for N-(3-chlorophenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid is O=C(CN1CCN(Cc2nc(-c3ccco3)cs2)CC1)Nc1cccc(Cl)c1.O=C(O)C(=O)O.

What is the InChIKey of N-(3-chlorophenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid?

The InChIKey is QCSDLQQRADNHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2S.C2H2O4/c21-15-3-1-4-16(11-15)22-19(26)12-24-6-8-25(9-7-24)13-20-23-17(14-28-20)18-5-2-10-27-18;3-1(4)2(5)6/h1-5,10-11,14H,6-9,12-13H2,(H,22,26);(H,3,4)(H,5,6).

What are the key properties of N-(3-chlorophenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid?

N-(3-chlorophenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid has a molecular weight of 506.97 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid is sourced from PubChem (CID 71780580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).