2-[2-methyl-5-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-1-pyridazin-3-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1-(triazin-4-yl)-3H-1,3-thiazol-1-yl]-1,3-oxazole

C28H21N13O2S2 — CID 141184248

About 2-[2-methyl-5-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-1-pyridazin-3-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1-(triazin-4-yl)-3H-1,3-thiazol-1-yl]-1,3-oxazole

2-[2-methyl-5-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-1-pyridazin-3-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1-(triazin-4-yl)-3H-1,3-thiazol-1-yl]-1,3-oxazole (PubChem CID 141184248) has the molecular formula C28H21N13O2S2 and a molecular weight of 635.70 g/mol. Its IUPAC name is 2-[2-methyl-5-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-1-pyridazin-3-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1-(triazin-4-yl)-3H-1,3-thiazol-1-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[2-methyl-5-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-1-pyridazin-3-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1-(triazin-4-yl)-3H-1,3-thiazol-1-yl]-1,3-oxazole
• PubChem CID: 141184248
• Molecular Formula: C28H21N13O2S2
• Molecular Weight: 635.70 g/mol
• Exact Mass: 635.14
• IUPAC Name: 2-[2-methyl-5-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-1-pyridazin-3-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1-(triazin-4-yl)-3H-1,3-thiazol-1-yl]-1,3-oxazole
• SMILES: CC1(c2ncccn2)NC(c2nccs2)=C(c2ccon2)S1(c1cnccn1)(c1cccnn1)(c1ccnnn1)c1ncco1
• InChI: InChI=1S/C28H21N13O2S2/c1-28(26-32-7-3-8-33-26)37-23(25-31-14-17-44-25)24(19-6-15-43-40-19)45(28,27-34-13-16-42-27,20-4-2-9-35-38-20,21-5-10-36-41-39-21)22-18-29-11-12-30-22/h2-18,37H,1H3
• InChIKey: HYUVEFWYHSPGMR-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 192.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.70
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-1-pyridazin-3-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1-(triazin-4-yl)-3H-1,3-thiazol-1-yl]-1,3-oxazole?

The IUPAC name of 2-[2-methyl-5-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-1-pyridazin-3-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1-(triazin-4-yl)-3H-1,3-thiazol-1-yl]-1,3-oxazole (CID 141184248) is 2-[2-methyl-5-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-1-pyridazin-3-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1-(triazin-4-yl)-3H-1,3-thiazol-1-yl]-1,3-oxazole.

What is the SMILES notation for 2-[2-methyl-5-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-1-pyridazin-3-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1-(triazin-4-yl)-3H-1,3-thiazol-1-yl]-1,3-oxazole?

The canonical SMILES for 2-[2-methyl-5-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-1-pyridazin-3-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1-(triazin-4-yl)-3H-1,3-thiazol-1-yl]-1,3-oxazole is CC1(c2ncccn2)NC(c2nccs2)=C(c2ccon2)S1(c1cnccn1)(c1cccnn1)(c1ccnnn1)c1ncco1.

What is the InChIKey of 2-[2-methyl-5-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-1-pyridazin-3-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1-(triazin-4-yl)-3H-1,3-thiazol-1-yl]-1,3-oxazole?

The InChIKey is HYUVEFWYHSPGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N13O2S2/c1-28(26-32-7-3-8-33-26)37-23(25-31-14-17-44-25)24(19-6-15-43-40-19)45(28,27-34-13-16-42-27,20-4-2-9-35-38-20,21-5-10-36-41-39-21)22-18-29-11-12-30-22/h2-18,37H,1H3.

What are the key properties of 2-[2-methyl-5-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-1-pyridazin-3-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1-(triazin-4-yl)-3H-1,3-thiazol-1-yl]-1,3-oxazole?

2-[2-methyl-5-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-1-pyridazin-3-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1-(triazin-4-yl)-3H-1,3-thiazol-1-yl]-1,3-oxazole has a molecular weight of 635.70 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-methyl-5-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-1-pyridazin-3-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1-(triazin-4-yl)-3H-1,3-thiazol-1-yl]-1,3-oxazole is sourced from PubChem (CID 141184248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).