2-[2-(furan-2-yl)-4-pyrazin-2-yl-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole

C29H21N9O2S2 — CID 141109663

About 2-[2-(furan-2-yl)-4-pyrazin-2-yl-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole

2-[2-(furan-2-yl)-4-pyrazin-2-yl-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole (PubChem CID 141109663) has the molecular formula C29H21N9O2S2 and a molecular weight of 591.68 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-4-pyrazin-2-yl-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[2-(furan-2-yl)-4-pyrazin-2-yl-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole
• PubChem CID: 141109663
• Molecular Formula: C29H21N9O2S2
• Molecular Weight: 591.68 g/mol
• Exact Mass: 591.13
• IUPAC Name: 2-[2-(furan-2-yl)-4-pyrazin-2-yl-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole
• SMILES: c1cnc(N2C(c3cnccn3)(c3nccs3)C(c3cccs3)N(c3ccc[nH]3)C2(c2ccco2)c2ncco2)nc1
• InChI: InChI=1S/C29H21N9O2S2/c1-7-23(32-8-1)37-24(20-5-3-17-41-20)28(26-34-14-18-42-26,21-19-30-11-12-31-21)38(27-35-9-4-10-36-27)29(37,22-6-2-15-39-22)25-33-13-16-40-25/h1-19,24,32H
• InChIKey: ULKLFLWPKSBPAU-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 125.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	591.68
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-4-pyrazin-2-yl-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole?

The IUPAC name of 2-[2-(furan-2-yl)-4-pyrazin-2-yl-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole (CID 141109663) is 2-[2-(furan-2-yl)-4-pyrazin-2-yl-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole.

What is the SMILES notation for 2-[2-(furan-2-yl)-4-pyrazin-2-yl-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole?

The canonical SMILES for 2-[2-(furan-2-yl)-4-pyrazin-2-yl-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole is c1cnc(N2C(c3cnccn3)(c3nccs3)C(c3cccs3)N(c3ccc[nH]3)C2(c2ccco2)c2ncco2)nc1.

What is the InChIKey of 2-[2-(furan-2-yl)-4-pyrazin-2-yl-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole?

The InChIKey is ULKLFLWPKSBPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N9O2S2/c1-7-23(32-8-1)37-24(20-5-3-17-41-20)28(26-34-14-18-42-26,21-19-30-11-12-31-21)38(27-35-9-4-10-36-27)29(37,22-6-2-15-39-22)25-33-13-16-40-25/h1-19,24,32H.

What are the key properties of 2-[2-(furan-2-yl)-4-pyrazin-2-yl-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole?

2-[2-(furan-2-yl)-4-pyrazin-2-yl-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole has a molecular weight of 591.68 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(furan-2-yl)-4-pyrazin-2-yl-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole is sourced from PubChem (CID 141109663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).