4-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-1-(1,2-thiazol-3-yl)pyridazin-3-yl]thiadiazole

C23H14N14S2 — CID 141104600

About 4-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-1-(1,2-thiazol-3-yl)pyridazin-3-yl]thiadiazole

4-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-1-(1,2-thiazol-3-yl)pyridazin-3-yl]thiadiazole (PubChem CID 141104600) has the molecular formula C23H14N14S2 and a molecular weight of 550.60 g/mol. Its IUPAC name is 4-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-1-(1,2-thiazol-3-yl)pyridazin-3-yl]thiadiazole.

Molecular Properties

• Compound Name: 4-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-1-(1,2-thiazol-3-yl)pyridazin-3-yl]thiadiazole
• PubChem CID: 141104600
• Molecular Formula: C23H14N14S2
• Molecular Weight: 550.60 g/mol
• Exact Mass: 550.10
• IUPAC Name: 4-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-1-(1,2-thiazol-3-yl)pyridazin-3-yl]thiadiazole
• SMILES: c1ccc(C2=C(c3csnn3)N(c3nnn[nH]3)N(c3ccsn3)C(c3cnccn3)=C2c2ncccn2)nc1
• InChI: InChI=1S/C23H14N14S2/c1-2-6-25-14(4-1)18-19(22-27-7-3-8-28-22)20(15-12-24-9-10-26-15)36(17-5-11-38-32-17)37(23-30-33-34-31-23)21(18)16-13-39-35-29-16/h1-13H,(H,30,31,33,34)
• InChIKey: QZFKMURLHVKBEJ-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 164.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.60
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 4-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-1-(1,2-thiazol-3-yl)pyridazin-3-yl]thiadiazole?

The IUPAC name of 4-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-1-(1,2-thiazol-3-yl)pyridazin-3-yl]thiadiazole (CID 141104600) is 4-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-1-(1,2-thiazol-3-yl)pyridazin-3-yl]thiadiazole.

What is the SMILES notation for 4-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-1-(1,2-thiazol-3-yl)pyridazin-3-yl]thiadiazole?

The canonical SMILES for 4-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-1-(1,2-thiazol-3-yl)pyridazin-3-yl]thiadiazole is c1ccc(C2=C(c3csnn3)N(c3nnn[nH]3)N(c3ccsn3)C(c3cnccn3)=C2c2ncccn2)nc1.

What is the InChIKey of 4-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-1-(1,2-thiazol-3-yl)pyridazin-3-yl]thiadiazole?

The InChIKey is QZFKMURLHVKBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N14S2/c1-2-6-25-14(4-1)18-19(22-27-7-3-8-28-22)20(15-12-24-9-10-26-15)36(17-5-11-38-32-17)37(23-30-33-34-31-23)21(18)16-13-39-35-29-16/h1-13H,(H,30,31,33,34).

What are the key properties of 4-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-1-(1,2-thiazol-3-yl)pyridazin-3-yl]thiadiazole?

4-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-1-(1,2-thiazol-3-yl)pyridazin-3-yl]thiadiazole has a molecular weight of 550.60 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-1-(1,2-thiazol-3-yl)pyridazin-3-yl]thiadiazole is sourced from PubChem (CID 141104600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).