4-[3-pyridin-2-yl-4-pyrimidin-2-yl-2-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-5-(triazin-4-yl)pyrazolidin-1-yl]oxadiazole

C25H16N14OS3 — CID 141015096

About 4-[3-pyridin-2-yl-4-pyrimidin-2-yl-2-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-5-(triazin-4-yl)pyrazolidin-1-yl]oxadiazole

4-[3-pyridin-2-yl-4-pyrimidin-2-yl-2-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-5-(triazin-4-yl)pyrazolidin-1-yl]oxadiazole (PubChem CID 141015096) has the molecular formula C25H16N14OS3 and a molecular weight of 624.70 g/mol. Its IUPAC name is 4-[3-pyridin-2-yl-4-pyrimidin-2-yl-2-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-5-(triazin-4-yl)pyrazolidin-1-yl]oxadiazole.

Molecular Properties

• Compound Name: 4-[3-pyridin-2-yl-4-pyrimidin-2-yl-2-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-5-(triazin-4-yl)pyrazolidin-1-yl]oxadiazole
• PubChem CID: 141015096
• Molecular Formula: C25H16N14OS3
• Molecular Weight: 624.70 g/mol
• Exact Mass: 624.08
• IUPAC Name: 4-[3-pyridin-2-yl-4-pyrimidin-2-yl-2-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-5-(triazin-4-yl)pyrazolidin-1-yl]oxadiazole
• SMILES: c1ccc(C2N(c3csnn3)N(c3conn3)C(c3ccnnn3)(c3ccsn3)C2(c2ncccn2)c2nccs2)nc1
• InChI: InChI=1S/C25H16N14OS3/c1-2-7-26-16(4-1)21-24(23-29-11-13-41-23,22-27-8-3-9-28-22)25(18-6-12-42-34-18,17-5-10-30-35-31-17)39(19-14-40-36-32-19)38(21)20-15-43-37-33-20/h1-15,21H
• InChIKey: XBCSSGJVJGSGGD-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 174.30 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.70
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 4-[3-pyridin-2-yl-4-pyrimidin-2-yl-2-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-5-(triazin-4-yl)pyrazolidin-1-yl]oxadiazole?

The IUPAC name of 4-[3-pyridin-2-yl-4-pyrimidin-2-yl-2-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-5-(triazin-4-yl)pyrazolidin-1-yl]oxadiazole (CID 141015096) is 4-[3-pyridin-2-yl-4-pyrimidin-2-yl-2-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-5-(triazin-4-yl)pyrazolidin-1-yl]oxadiazole.

What is the SMILES notation for 4-[3-pyridin-2-yl-4-pyrimidin-2-yl-2-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-5-(triazin-4-yl)pyrazolidin-1-yl]oxadiazole?

The canonical SMILES for 4-[3-pyridin-2-yl-4-pyrimidin-2-yl-2-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-5-(triazin-4-yl)pyrazolidin-1-yl]oxadiazole is c1ccc(C2N(c3csnn3)N(c3conn3)C(c3ccnnn3)(c3ccsn3)C2(c2ncccn2)c2nccs2)nc1.

What is the InChIKey of 4-[3-pyridin-2-yl-4-pyrimidin-2-yl-2-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-5-(triazin-4-yl)pyrazolidin-1-yl]oxadiazole?

The InChIKey is XBCSSGJVJGSGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N14OS3/c1-2-7-26-16(4-1)21-24(23-29-11-13-41-23,22-27-8-3-9-28-22)25(18-6-12-42-34-18,17-5-10-30-35-31-17)39(19-14-40-36-32-19)38(21)20-15-43-37-33-20/h1-15,21H.

What are the key properties of 4-[3-pyridin-2-yl-4-pyrimidin-2-yl-2-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-5-(triazin-4-yl)pyrazolidin-1-yl]oxadiazole?

4-[3-pyridin-2-yl-4-pyrimidin-2-yl-2-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-5-(triazin-4-yl)pyrazolidin-1-yl]oxadiazole has a molecular weight of 624.70 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-pyridin-2-yl-4-pyrimidin-2-yl-2-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-5-(triazin-4-yl)pyrazolidin-1-yl]oxadiazole is sourced from PubChem (CID 141015096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).