2-phenyl-N-[6-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]pyridazin-3-yl]acetamide

C24H22N6O2S2 — CID 162650965

About 2-phenyl-N-[6-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]pyridazin-3-yl]acetamide

2-phenyl-N-[6-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]pyridazin-3-yl]acetamide (PubChem CID 162650965) has the molecular formula C24H22N6O2S2 and a molecular weight of 490.61 g/mol. Its IUPAC name is 2-phenyl-N-[6-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]pyridazin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-phenyl-N-[6-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]pyridazin-3-yl]acetamide
• PubChem CID: 162650965
• Molecular Formula: C24H22N6O2S2
• Molecular Weight: 490.61 g/mol
• Exact Mass: 490.12
• IUPAC Name: 2-phenyl-N-[6-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]pyridazin-3-yl]acetamide
• SMILES: O=C(Cc1ccccc1)Nc1ccc(SCCc2nnc(NC(=O)Cc3ccccc3)s2)nn1
• InChI: InChI=1S/C24H22N6O2S2/c31-20(15-17-7-3-1-4-8-17)25-19-11-12-22(28-27-19)33-14-13-23-29-30-24(34-23)26-21(32)16-18-9-5-2-6-10-18/h1-12H,13-16H2,(H,25,27,31)(H,26,30,32)
• InChIKey: FDQSVBZWMNTRRX-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 109.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.61
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[6-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]pyridazin-3-yl]acetamide?

The IUPAC name of 2-phenyl-N-[6-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]pyridazin-3-yl]acetamide (CID 162650965) is 2-phenyl-N-[6-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]pyridazin-3-yl]acetamide.

What is the SMILES notation for 2-phenyl-N-[6-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]pyridazin-3-yl]acetamide?

The canonical SMILES for 2-phenyl-N-[6-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]pyridazin-3-yl]acetamide is O=C(Cc1ccccc1)Nc1ccc(SCCc2nnc(NC(=O)Cc3ccccc3)s2)nn1.

What is the InChIKey of 2-phenyl-N-[6-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]pyridazin-3-yl]acetamide?

The InChIKey is FDQSVBZWMNTRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2S2/c31-20(15-17-7-3-1-4-8-17)25-19-11-12-22(28-27-19)33-14-13-23-29-30-24(34-23)26-21(32)16-18-9-5-2-6-10-18/h1-12H,13-16H2,(H,25,27,31)(H,26,30,32).

What are the key properties of 2-phenyl-N-[6-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]pyridazin-3-yl]acetamide?

2-phenyl-N-[6-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]pyridazin-3-yl]acetamide has a molecular weight of 490.61 g/mol, XLogP of 4.03, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-N-[6-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]pyridazin-3-yl]acetamide is sourced from PubChem (CID 162650965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).