5-pyridazin-3-yl-4-pyridin-2-yl-4-pyrimidin-2-yl-5-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-2-(triazin-4-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine

C26H17N15OS2 — CID 141074017

About 5-pyridazin-3-yl-4-pyridin-2-yl-4-pyrimidin-2-yl-5-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-2-(triazin-4-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine

5-pyridazin-3-yl-4-pyridin-2-yl-4-pyrimidin-2-yl-5-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-2-(triazin-4-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine (PubChem CID 141074017) has the molecular formula C26H17N15OS2 and a molecular weight of 619.66 g/mol. Its IUPAC name is 5-pyridazin-3-yl-4-pyridin-2-yl-4-pyrimidin-2-yl-5-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-2-(triazin-4-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine.

Molecular Properties

• Compound Name: 5-pyridazin-3-yl-4-pyridin-2-yl-4-pyrimidin-2-yl-5-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-2-(triazin-4-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine
• PubChem CID: 141074017
• Molecular Formula: C26H17N15OS2
• Molecular Weight: 619.66 g/mol
• Exact Mass: 619.12
• IUPAC Name: 5-pyridazin-3-yl-4-pyridin-2-yl-4-pyrimidin-2-yl-5-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-2-(triazin-4-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine
• SMILES: c1ccc(C2(c3ncccn3)C(c3cccnn3)(c3csnn3)ON(c3ccnnn3)C2(c2cn[nH]n2)c2ccsn2)nc1
• InChI: InChI=1S/C26H17N15OS2/c1-2-9-27-17(5-1)24(23-28-10-4-11-29-23)25(18-8-14-43-37-18,20-15-32-39-34-20)41(22-7-13-31-38-36-22)42-26(24,21-16-44-40-35-21)19-6-3-12-30-33-19/h1-16H,(H,32,34,39)
• InChIKey: PTBFBKWDBAIJSO-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 195.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.66
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 5-pyridazin-3-yl-4-pyridin-2-yl-4-pyrimidin-2-yl-5-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-2-(triazin-4-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine?

The IUPAC name of 5-pyridazin-3-yl-4-pyridin-2-yl-4-pyrimidin-2-yl-5-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-2-(triazin-4-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine (CID 141074017) is 5-pyridazin-3-yl-4-pyridin-2-yl-4-pyrimidin-2-yl-5-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-2-(triazin-4-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine.

What is the SMILES notation for 5-pyridazin-3-yl-4-pyridin-2-yl-4-pyrimidin-2-yl-5-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-2-(triazin-4-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine?

The canonical SMILES for 5-pyridazin-3-yl-4-pyridin-2-yl-4-pyrimidin-2-yl-5-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-2-(triazin-4-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine is c1ccc(C2(c3ncccn3)C(c3cccnn3)(c3csnn3)ON(c3ccnnn3)C2(c2cn[nH]n2)c2ccsn2)nc1.

What is the InChIKey of 5-pyridazin-3-yl-4-pyridin-2-yl-4-pyrimidin-2-yl-5-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-2-(triazin-4-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine?

The InChIKey is PTBFBKWDBAIJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N15OS2/c1-2-9-27-17(5-1)24(23-28-10-4-11-29-23)25(18-8-14-43-37-18,20-15-32-39-34-20)41(22-7-13-31-38-36-22)42-26(24,21-16-44-40-35-21)19-6-3-12-30-33-19/h1-16H,(H,32,34,39).

What are the key properties of 5-pyridazin-3-yl-4-pyridin-2-yl-4-pyrimidin-2-yl-5-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-2-(triazin-4-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine?

5-pyridazin-3-yl-4-pyridin-2-yl-4-pyrimidin-2-yl-5-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-2-(triazin-4-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine has a molecular weight of 619.66 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-pyridazin-3-yl-4-pyridin-2-yl-4-pyrimidin-2-yl-5-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-2-(triazin-4-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine is sourced from PubChem (CID 141074017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).