5-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-4-(1H-1,2,4-triazol-5-yl)-5-(2H-triazol-4-yl)thiophen-3-yl]-2H-tetrazole

C19H14N14OS — CID 141040224

About 5-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-4-(1H-1,2,4-triazol-5-yl)-5-(2H-triazol-4-yl)thiophen-3-yl]-2H-tetrazole

5-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-4-(1H-1,2,4-triazol-5-yl)-5-(2H-triazol-4-yl)thiophen-3-yl]-2H-tetrazole (PubChem CID 141040224) has the molecular formula C19H14N14OS and a molecular weight of 486.49 g/mol. Its IUPAC name is 5-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-4-(1H-1,2,4-triazol-5-yl)-5-(2H-triazol-4-yl)thiophen-3-yl]-2H-tetrazole.

Molecular Properties

• Compound Name: 5-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-4-(1H-1,2,4-triazol-5-yl)-5-(2H-triazol-4-yl)thiophen-3-yl]-2H-tetrazole
• PubChem CID: 141040224
• Molecular Formula: C19H14N14OS
• Molecular Weight: 486.49 g/mol
• Exact Mass: 486.12
• IUPAC Name: 5-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-4-(1H-1,2,4-triazol-5-yl)-5-(2H-triazol-4-yl)thiophen-3-yl]-2H-tetrazole
• SMILES: c1coc(C2=C(c3nn[nH]n3)C(c3ncn[nH]3)=C(c3cn[nH]n3)S2(c2ccn[nH]2)c2ncc[nH]2)c1
• InChI: InChI=1S/C19H14N14OS/c1-2-11(34-7-1)16-14(18-29-32-33-30-18)13(17-22-9-25-28-17)15(10-8-24-31-26-10)35(16,12-3-4-23-27-12)19-20-5-6-21-19/h1-9H,(H,20,21)(H,23,27)(H,22,25,28)(H,24,26,31)(H,29,30,32,33)
• InChIKey: HRGNRFKHCFNDFF-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 208.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.49
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-4-(1H-1,2,4-triazol-5-yl)-5-(2H-triazol-4-yl)thiophen-3-yl]-2H-tetrazole?

The IUPAC name of 5-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-4-(1H-1,2,4-triazol-5-yl)-5-(2H-triazol-4-yl)thiophen-3-yl]-2H-tetrazole (CID 141040224) is 5-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-4-(1H-1,2,4-triazol-5-yl)-5-(2H-triazol-4-yl)thiophen-3-yl]-2H-tetrazole.

What is the SMILES notation for 5-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-4-(1H-1,2,4-triazol-5-yl)-5-(2H-triazol-4-yl)thiophen-3-yl]-2H-tetrazole?

The canonical SMILES for 5-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-4-(1H-1,2,4-triazol-5-yl)-5-(2H-triazol-4-yl)thiophen-3-yl]-2H-tetrazole is c1coc(C2=C(c3nn[nH]n3)C(c3ncn[nH]3)=C(c3cn[nH]n3)S2(c2ccn[nH]2)c2ncc[nH]2)c1.

What is the InChIKey of 5-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-4-(1H-1,2,4-triazol-5-yl)-5-(2H-triazol-4-yl)thiophen-3-yl]-2H-tetrazole?

The InChIKey is HRGNRFKHCFNDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N14OS/c1-2-11(34-7-1)16-14(18-29-32-33-30-18)13(17-22-9-25-28-17)15(10-8-24-31-26-10)35(16,12-3-4-23-27-12)19-20-5-6-21-19/h1-9H,(H,20,21)(H,23,27)(H,22,25,28)(H,24,26,31)(H,29,30,32,33).

What are the key properties of 5-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-4-(1H-1,2,4-triazol-5-yl)-5-(2H-triazol-4-yl)thiophen-3-yl]-2H-tetrazole?

5-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-4-(1H-1,2,4-triazol-5-yl)-5-(2H-triazol-4-yl)thiophen-3-yl]-2H-tetrazole has a molecular weight of 486.49 g/mol, XLogP of 1.85, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-4-(1H-1,2,4-triazol-5-yl)-5-(2H-triazol-4-yl)thiophen-3-yl]-2H-tetrazole is sourced from PubChem (CID 141040224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).