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

C21H15N5O2S2 — CID 141107824

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

2-[1-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole (PubChem CID 141107824) has the molecular formula C21H15N5O2S2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[1-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole
• PubChem CID: 141107824
• Molecular Formula: C21H15N5O2S2
• Molecular Weight: 433.52 g/mol
• Exact Mass: 433.07
• IUPAC Name: 2-[1-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole
• SMILES: c1c[nH]c(C2=C(c3ncco3)N=C(c3ncc[nH]3)S2(c2ccco2)c2cccs2)c1
• InChI: InChI=1S/C21H15N5O2S2/c1-4-14(22-7-1)18-17(20-25-10-12-28-20)26-21(19-23-8-9-24-19)30(18,15-5-2-11-27-15)16-6-3-13-29-16/h1-13,22H,(H,23,24)
• InChIKey: KFJNWLULMJEOBQ-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 96.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.52
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[1-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole (CID 141107824) is 2-[1-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole.

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

The canonical SMILES for 2-[1-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole is c1c[nH]c(C2=C(c3ncco3)N=C(c3ncc[nH]3)S2(c2ccco2)c2cccs2)c1.

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

The InChIKey is KFJNWLULMJEOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2S2/c1-4-14(22-7-1)18-17(20-25-10-12-28-20)26-21(19-23-8-9-24-19)30(18,15-5-2-11-27-15)16-6-3-13-29-16/h1-13,22H,(H,23,24).

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

2-[1-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole has a molecular weight of 433.52 g/mol, XLogP of 5.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole is sourced from PubChem (CID 141107824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).