2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yltriazin-1-yl]-1,3-oxazole

C28H18N10O2S3 — CID 141019118

About 2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yltriazin-1-yl]-1,3-oxazole

2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yltriazin-1-yl]-1,3-oxazole (PubChem CID 141019118) has the molecular formula C28H18N10O2S3 and a molecular weight of 622.72 g/mol. Its IUPAC name is 2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yltriazin-1-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yltriazin-1-yl]-1,3-oxazole
• PubChem CID: 141019118
• Molecular Formula: C28H18N10O2S3
• Molecular Weight: 622.72 g/mol
• Exact Mass: 622.08
• IUPAC Name: 2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yltriazin-1-yl]-1,3-oxazole
• SMILES: c1ccc(C2=C(c3ccon3)N(c3ncco3)N(c3ccsn3)N(c3nccs3)C2(c2ncccn2)c2cccs2)nc1
• InChI: InChI=1S/C28H18N10O2S3/c1-2-9-29-19(5-1)23-24(20-7-14-40-34-20)36(26-32-12-15-39-26)38(22-8-17-43-35-22)37(27-33-13-18-42-27)28(23,21-6-3-16-41-21)25-30-10-4-11-31-25/h1-18H
• InChIKey: KQUUSPAIWYIQJQ-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 126.23 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	622.72
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yltriazin-1-yl]-1,3-oxazole?

The IUPAC name of 2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yltriazin-1-yl]-1,3-oxazole (CID 141019118) is 2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yltriazin-1-yl]-1,3-oxazole.

What is the SMILES notation for 2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yltriazin-1-yl]-1,3-oxazole?

The canonical SMILES for 2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yltriazin-1-yl]-1,3-oxazole is c1ccc(C2=C(c3ccon3)N(c3ncco3)N(c3ccsn3)N(c3nccs3)C2(c2ncccn2)c2cccs2)nc1.

What is the InChIKey of 2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yltriazin-1-yl]-1,3-oxazole?

The InChIKey is KQUUSPAIWYIQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N10O2S3/c1-2-9-29-19(5-1)23-24(20-7-14-40-34-20)36(26-32-12-15-39-26)38(22-8-17-43-35-22)37(27-33-13-18-42-27)28(23,21-6-3-16-41-21)25-30-10-4-11-31-25/h1-18H.

What are the key properties of 2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yltriazin-1-yl]-1,3-oxazole?

2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yltriazin-1-yl]-1,3-oxazole has a molecular weight of 622.72 g/mol, XLogP of 6.00, 7 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yltriazin-1-yl]-1,3-oxazole is sourced from PubChem (CID 141019118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).