4-[4-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3-[3-[6-pyridazin-3-yl-5-(1,2-thiazol-3-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole

C23H13N11OS2 — CID 136650165

About 4-[4-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3-[3-[6-pyridazin-3-yl-5-(1,2-thiazol-3-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole

4-[4-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3-[3-[6-pyridazin-3-yl-5-(1,2-thiazol-3-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole (PubChem CID 136650165) has the molecular formula C23H13N11OS2 and a molecular weight of 523.57 g/mol. Its IUPAC name is 4-[4-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3-[3-[6-pyridazin-3-yl-5-(1,2-thiazol-3-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole.

Molecular Properties

• Compound Name: 4-[4-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3-[3-[6-pyridazin-3-yl-5-(1,2-thiazol-3-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole
• PubChem CID: 136650165
• Molecular Formula: C23H13N11OS2
• Molecular Weight: 523.57 g/mol
• Exact Mass: 523.07
• IUPAC Name: 4-[4-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3-[3-[6-pyridazin-3-yl-5-(1,2-thiazol-3-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole
• SMILES: c1cnnc(-c2ncnc(-c3n[nH]cc3-c3nocc3-c3nc(-c4ncc[nH]4)cs3)c2-c2ccsn2)c1
• InChI: InChI=1S/C23H13N11OS2/c1-2-15(31-28-4-1)20-17(14-3-7-37-34-14)21(27-11-26-20)19-12(8-29-32-19)18-13(9-35-33-18)23-30-16(10-36-23)22-24-5-6-25-22/h1-11H,(H,24,25)(H,29,32)
• InChIKey: MRMAOMHXLIZYTB-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 160.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.57
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 4-[4-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3-[3-[6-pyridazin-3-yl-5-(1,2-thiazol-3-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole (CID 136650165) is 4-[4-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3-[3-[6-pyridazin-3-yl-5-(1,2-thiazol-3-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole.

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

The canonical SMILES for 4-[4-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3-[3-[6-pyridazin-3-yl-5-(1,2-thiazol-3-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole is c1cnnc(-c2ncnc(-c3n[nH]cc3-c3nocc3-c3nc(-c4ncc[nH]4)cs3)c2-c2ccsn2)c1.

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

The InChIKey is MRMAOMHXLIZYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13N11OS2/c1-2-15(31-28-4-1)20-17(14-3-7-37-34-14)21(27-11-26-20)19-12(8-29-32-19)18-13(9-35-33-18)23-30-16(10-36-23)22-24-5-6-25-22/h1-11H,(H,24,25)(H,29,32).

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

4-[4-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3-[3-[6-pyridazin-3-yl-5-(1,2-thiazol-3-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole has a molecular weight of 523.57 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3-[3-[6-pyridazin-3-yl-5-(1,2-thiazol-3-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 136650165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).