2-(3-chlorophenyl)-N-[6-[4-[5-[[2-(3-chlorophenyl)-2-hydroxyacetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-hydroxyacetamide

C26H24Cl2N6O4S — CID 74982674

About 2-(3-chlorophenyl)-N-[6-[4-[5-[[2-(3-chlorophenyl)-2-hydroxyacetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-hydroxyacetamide

2-(3-chlorophenyl)-N-[6-[4-[5-[[2-(3-chlorophenyl)-2-hydroxyacetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-hydroxyacetamide (PubChem CID 74982674) has the molecular formula C26H24Cl2N6O4S and a molecular weight of 587.49 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[6-[4-[5-[[2-(3-chlorophenyl)-2-hydroxyacetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-hydroxyacetamide.

Molecular Properties

• Compound Name: 2-(3-chlorophenyl)-N-[6-[4-[5-[[2-(3-chlorophenyl)-2-hydroxyacetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-hydroxyacetamide
• PubChem CID: 74982674
• Molecular Formula: C26H24Cl2N6O4S
• Molecular Weight: 587.49 g/mol
• Exact Mass: 586.10
• IUPAC Name: 2-(3-chlorophenyl)-N-[6-[4-[5-[[2-(3-chlorophenyl)-2-hydroxyacetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-hydroxyacetamide
• SMILES: O=C(Nc1ccc(CCCCc2nnc(NC(=O)C(O)c3cccc(Cl)c3)s2)nn1)C(O)c1cccc(Cl)c1
• InChI: InChI=1S/C26H24Cl2N6O4S/c27-17-7-3-5-15(13-17)22(35)24(37)29-20-12-11-19(31-32-20)9-1-2-10-21-33-34-26(39-21)30-25(38)23(36)16-6-4-8-18(28)14-16/h3-8,11-14,22-23,35-36H,1-2,9-10H2,(H,29,32,37)(H,30,34,38)
• InChIKey: LRIJNNNGGKRIAX-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 150.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.49
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[6-[4-[5-[[2-(3-chlorophenyl)-2-hydroxyacetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-hydroxyacetamide?

The IUPAC name of 2-(3-chlorophenyl)-N-[6-[4-[5-[[2-(3-chlorophenyl)-2-hydroxyacetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-hydroxyacetamide (CID 74982674) is 2-(3-chlorophenyl)-N-[6-[4-[5-[[2-(3-chlorophenyl)-2-hydroxyacetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-hydroxyacetamide.

What is the SMILES notation for 2-(3-chlorophenyl)-N-[6-[4-[5-[[2-(3-chlorophenyl)-2-hydroxyacetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-hydroxyacetamide?

The canonical SMILES for 2-(3-chlorophenyl)-N-[6-[4-[5-[[2-(3-chlorophenyl)-2-hydroxyacetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-hydroxyacetamide is O=C(Nc1ccc(CCCCc2nnc(NC(=O)C(O)c3cccc(Cl)c3)s2)nn1)C(O)c1cccc(Cl)c1.

What is the InChIKey of 2-(3-chlorophenyl)-N-[6-[4-[5-[[2-(3-chlorophenyl)-2-hydroxyacetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-hydroxyacetamide?

The InChIKey is LRIJNNNGGKRIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N6O4S/c27-17-7-3-5-15(13-17)22(35)24(37)29-20-12-11-19(31-32-20)9-1-2-10-21-33-34-26(39-21)30-25(38)23(36)16-6-4-8-18(28)14-16/h3-8,11-14,22-23,35-36H,1-2,9-10H2,(H,29,32,37)(H,30,34,38).

What are the key properties of 2-(3-chlorophenyl)-N-[6-[4-[5-[[2-(3-chlorophenyl)-2-hydroxyacetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-hydroxyacetamide?

2-(3-chlorophenyl)-N-[6-[4-[5-[[2-(3-chlorophenyl)-2-hydroxyacetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-hydroxyacetamide has a molecular weight of 587.49 g/mol, XLogP of 4.54, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenyl)-N-[6-[4-[5-[[2-(3-chlorophenyl)-2-hydroxyacetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-hydroxyacetamide is sourced from PubChem (CID 74982674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).