5-pyrazin-2-yl-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine

C27H19N9OS2 — CID 140999362

About 5-pyrazin-2-yl-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine

5-pyrazin-2-yl-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine (PubChem CID 140999362) has the molecular formula C27H19N9OS2 and a molecular weight of 549.65 g/mol. Its IUPAC name is 5-pyrazin-2-yl-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine.

Molecular Properties

• Compound Name: 5-pyrazin-2-yl-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine
• PubChem CID: 140999362
• Molecular Formula: C27H19N9OS2
• Molecular Weight: 549.65 g/mol
• Exact Mass: 549.12
• IUPAC Name: 5-pyrazin-2-yl-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine
• SMILES: c1ccc(C2(c3cccs3)C(c3cnccn3)OC(c3cccnn3)(c3nccs3)N2c2ncccn2)nc1
• InChI: InChI=1S/C27H19N9OS2/c1-2-9-30-20(6-1)26(22-8-4-16-38-22)23(19-18-28-13-14-29-19)37-27(24-31-15-17-39-24,21-7-3-12-34-35-21)36(26)25-32-10-5-11-33-25/h1-18,23H
• InChIKey: ZCWANBUTZREOHN-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 115.59 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.65
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 5-pyrazin-2-yl-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine?

The IUPAC name of 5-pyrazin-2-yl-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine (CID 140999362) is 5-pyrazin-2-yl-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine.

What is the SMILES notation for 5-pyrazin-2-yl-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine?

The canonical SMILES for 5-pyrazin-2-yl-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine is c1ccc(C2(c3cccs3)C(c3cnccn3)OC(c3cccnn3)(c3nccs3)N2c2ncccn2)nc1.

What is the InChIKey of 5-pyrazin-2-yl-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine?

The InChIKey is ZCWANBUTZREOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N9OS2/c1-2-9-30-20(6-1)26(22-8-4-16-38-22)23(19-18-28-13-14-29-19)37-27(24-31-15-17-39-24,21-7-3-12-34-35-21)36(26)25-32-10-5-11-33-25/h1-18,23H.

What are the key properties of 5-pyrazin-2-yl-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine?

5-pyrazin-2-yl-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine has a molecular weight of 549.65 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-pyrazin-2-yl-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine is sourced from PubChem (CID 140999362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).