2-[1-(furan-2-yl)-5-pyridin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yltriazolidin-4-yl]-1,3-oxazole

C25H19N7O2S2 — CID 141167977

About 2-[1-(furan-2-yl)-5-pyridin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yltriazolidin-4-yl]-1,3-oxazole

2-[1-(furan-2-yl)-5-pyridin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yltriazolidin-4-yl]-1,3-oxazole (PubChem CID 141167977) has the molecular formula C25H19N7O2S2 and a molecular weight of 513.61 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)-5-pyridin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yltriazolidin-4-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[1-(furan-2-yl)-5-pyridin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yltriazolidin-4-yl]-1,3-oxazole
• PubChem CID: 141167977
• Molecular Formula: C25H19N7O2S2
• Molecular Weight: 513.61 g/mol
• Exact Mass: 513.10
• IUPAC Name: 2-[1-(furan-2-yl)-5-pyridin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yltriazolidin-4-yl]-1,3-oxazole
• SMILES: c1ccc(C2(c3nccs3)C(c3ncco3)N(c3ccc[nH]3)N(c3cccs3)N2c2ccco2)nc1
• InChI: InChI=1S/C25H19N7O2S2/c1-2-10-26-18(6-1)25(24-29-13-17-36-24)22(23-28-12-15-34-23)30(19-7-3-11-27-19)32(21-9-5-16-35-21)31(25)20-8-4-14-33-20/h1-17,22,27H
• InChIKey: QDBFLXZKMIPHHE-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 90.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.61
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-[1-(furan-2-yl)-5-pyridin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yltriazolidin-4-yl]-1,3-oxazole (CID 141167977) is 2-[1-(furan-2-yl)-5-pyridin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yltriazolidin-4-yl]-1,3-oxazole.

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

The canonical SMILES for 2-[1-(furan-2-yl)-5-pyridin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yltriazolidin-4-yl]-1,3-oxazole is c1ccc(C2(c3nccs3)C(c3ncco3)N(c3ccc[nH]3)N(c3cccs3)N2c2ccco2)nc1.

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

The InChIKey is QDBFLXZKMIPHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N7O2S2/c1-2-10-26-18(6-1)25(24-29-13-17-36-24)22(23-28-12-15-34-23)30(19-7-3-11-27-19)32(21-9-5-16-35-21)31(25)20-8-4-14-33-20/h1-17,22,27H.

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

2-[1-(furan-2-yl)-5-pyridin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yltriazolidin-4-yl]-1,3-oxazole has a molecular weight of 513.61 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(furan-2-yl)-5-pyridin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yltriazolidin-4-yl]-1,3-oxazole is sourced from PubChem (CID 141167977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).