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

C26H25ClN6O2S — CID 74982735

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

N-[5-[4-[6-[[2-(2-chlorophenyl)acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide (PubChem CID 74982735) has the molecular formula C26H25ClN6O2S and a molecular weight of 521.05 g/mol. Its IUPAC name is N-[5-[4-[6-[[2-(2-chlorophenyl)acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[5-[4-[6-[[2-(2-chlorophenyl)acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
• PubChem CID: 74982735
• Molecular Formula: C26H25ClN6O2S
• Molecular Weight: 521.05 g/mol
• Exact Mass: 520.14
• IUPAC Name: N-[5-[4-[6-[[2-(2-chlorophenyl)acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
• SMILES: O=C(Cc1ccccc1Cl)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)nn1
• InChI: InChI=1S/C26H25ClN6O2S/c27-21-12-6-4-10-19(21)17-24(35)28-22-15-14-20(30-31-22)11-5-7-13-25-32-33-26(36-25)29-23(34)16-18-8-2-1-3-9-18/h1-4,6,8-10,12,14-15H,5,7,11,13,16-17H2,(H,28,31,35)(H,29,33,34)
• InChIKey: RANFPNIEBQKURV-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 109.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.05
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[5-[4-[6-[[2-(2-chlorophenyl)acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide (CID 74982735) is N-[5-[4-[6-[[2-(2-chlorophenyl)acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide.

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

The canonical SMILES for N-[5-[4-[6-[[2-(2-chlorophenyl)acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide is O=C(Cc1ccccc1Cl)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)nn1.

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

The InChIKey is RANFPNIEBQKURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN6O2S/c27-21-12-6-4-10-19(21)17-24(35)28-22-15-14-20(30-31-22)11-5-7-13-25-32-33-26(36-25)29-23(34)16-18-8-2-1-3-9-18/h1-4,6,8-10,12,14-15H,5,7,11,13,16-17H2,(H,28,31,35)(H,29,33,34).

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

N-[5-[4-[6-[[2-(2-chlorophenyl)acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide has a molecular weight of 521.05 g/mol, XLogP of 4.91, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-[6-[[2-(2-chlorophenyl)acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 74982735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).