2-[1-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-6-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)pyridazin-3-yl]-1,3-oxazole

C20H12N12O2S2 — CID 141203639

About 2-[1-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-6-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)pyridazin-3-yl]-1,3-oxazole

2-[1-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-6-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)pyridazin-3-yl]-1,3-oxazole (PubChem CID 141203639) has the molecular formula C20H12N12O2S2 and a molecular weight of 516.53 g/mol. Its IUPAC name is 2-[1-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-6-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)pyridazin-3-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[1-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-6-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)pyridazin-3-yl]-1,3-oxazole
• PubChem CID: 141203639
• Molecular Formula: C20H12N12O2S2
• Molecular Weight: 516.53 g/mol
• Exact Mass: 516.06
• IUPAC Name: 2-[1-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-6-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)pyridazin-3-yl]-1,3-oxazole
• SMILES: c1c[nH]c(N2C(c3csnn3)=C(c3cn[nH]n3)C(c3ccon3)=C(c3ncco3)N2c2nccs2)n1
• InChI: InChI=1S/C20H12N12O2S2/c1-6-34-28-11(1)14-15(12-9-25-29-26-12)16(13-10-36-30-27-13)31(19-22-2-3-23-19)32(20-24-5-8-35-20)17(14)18-21-4-7-33-18/h1-10H,(H,22,23)(H,25,26,29)
• InChIKey: MPCSTLMIZNGMRI-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 167.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.53
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-6-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)pyridazin-3-yl]-1,3-oxazole?

The IUPAC name of 2-[1-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-6-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)pyridazin-3-yl]-1,3-oxazole (CID 141203639) is 2-[1-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-6-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)pyridazin-3-yl]-1,3-oxazole.

What is the SMILES notation for 2-[1-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-6-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)pyridazin-3-yl]-1,3-oxazole?

The canonical SMILES for 2-[1-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-6-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)pyridazin-3-yl]-1,3-oxazole is c1c[nH]c(N2C(c3csnn3)=C(c3cn[nH]n3)C(c3ccon3)=C(c3ncco3)N2c2nccs2)n1.

What is the InChIKey of 2-[1-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-6-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)pyridazin-3-yl]-1,3-oxazole?

The InChIKey is MPCSTLMIZNGMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N12O2S2/c1-6-34-28-11(1)14-15(12-9-25-29-26-12)16(13-10-36-30-27-13)31(19-22-2-3-23-19)32(20-24-5-8-35-20)17(14)18-21-4-7-33-18/h1-10H,(H,22,23)(H,25,26,29).

What are the key properties of 2-[1-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-6-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)pyridazin-3-yl]-1,3-oxazole?

2-[1-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-6-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)pyridazin-3-yl]-1,3-oxazole has a molecular weight of 516.53 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-6-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)pyridazin-3-yl]-1,3-oxazole is sourced from PubChem (CID 141203639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).