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

C25H18N16S2 — CID 141191891

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

4-[1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1,3-thiazol-2-yl]thiadiazole (PubChem CID 141191891) has the molecular formula C25H18N16S2 and a molecular weight of 606.67 g/mol. Its IUPAC name is 4-[1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1,3-thiazol-2-yl]thiadiazole.

Molecular Properties

• Compound Name: 4-[1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1,3-thiazol-2-yl]thiadiazole
• PubChem CID: 141191891
• Molecular Formula: C25H18N16S2
• Molecular Weight: 606.67 g/mol
• Exact Mass: 606.13
• IUPAC Name: 4-[1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1,3-thiazol-2-yl]thiadiazole
• SMILES: c1cnc(S2(c3cnccn3)(c3cccnn3)(c3ccn[nH]3)C(c3csnn3)=NC(c3nn[nH]n3)=C2c2ccc[nH]2)nc1
• InChI: InChI=1S/C25H18N16S2/c1-4-16(27-7-1)22-21(23-37-39-40-38-23)33-24(17-15-42-41-34-17)43(22,19-6-11-32-36-19,18-5-2-10-31-35-18,20-14-26-12-13-28-20)25-29-8-3-9-30-25/h1-15,27H,(H,32,36)(H,37,38,39,40)
• InChIKey: SZPXCTWKBOVWTC-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 214.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.67
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

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

The IUPAC name of 4-[1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1,3-thiazol-2-yl]thiadiazole (CID 141191891) is 4-[1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1,3-thiazol-2-yl]thiadiazole.

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

The canonical SMILES for 4-[1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1,3-thiazol-2-yl]thiadiazole is c1cnc(S2(c3cnccn3)(c3cccnn3)(c3ccn[nH]3)C(c3csnn3)=NC(c3nn[nH]n3)=C2c2ccc[nH]2)nc1.

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

The InChIKey is SZPXCTWKBOVWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N16S2/c1-4-16(27-7-1)22-21(23-37-39-40-38-23)33-24(17-15-42-41-34-17)43(22,19-6-11-32-36-19,18-5-2-10-31-35-18,20-14-26-12-13-28-20)25-29-8-3-9-30-25/h1-15,27H,(H,32,36)(H,37,38,39,40).

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

4-[1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1,3-thiazol-2-yl]thiadiazole has a molecular weight of 606.67 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1,3-thiazol-2-yl]thiadiazole is sourced from PubChem (CID 141191891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).