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

C24H18N12O2S2 — CID 141050971

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

2-[5-[5-(furan-2-yl)-2H-triazol-4-yl]-4-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yltetrazolidin-2-yl]-1,3-oxazole (PubChem CID 141050971) has the molecular formula C24H18N12O2S2 and a molecular weight of 570.62 g/mol. Its IUPAC name is 2-[5-[5-(furan-2-yl)-2H-triazol-4-yl]-4-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yltetrazolidin-2-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[5-[5-(furan-2-yl)-2H-triazol-4-yl]-4-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yltetrazolidin-2-yl]-1,3-oxazole
• PubChem CID: 141050971
• Molecular Formula: C24H18N12O2S2
• Molecular Weight: 570.62 g/mol
• Exact Mass: 570.11
• IUPAC Name: 2-[5-[5-(furan-2-yl)-2H-triazol-4-yl]-4-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yltetrazolidin-2-yl]-1,3-oxazole
• SMILES: c1c[nH]c(N2N(c3ncco3)N(c3nccs3)N(c3ncc[nH]3)C2(c2cccs2)c2n[nH]nc2-c2ccco2)c1
• InChI: InChI=1S/C24H18N12O2S2/c1-6-18(25-7-1)33-24(17-5-3-14-39-17,20-19(30-32-31-20)16-4-2-12-37-16)34(21-26-8-9-27-21)36(23-29-11-15-40-23)35(33)22-28-10-13-38-22/h1-15,25H,(H,26,27)(H,30,31,32)
• InChIKey: NENZAAAQXGORSK-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 151.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.62
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 2-[5-[5-(furan-2-yl)-2H-triazol-4-yl]-4-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yltetrazolidin-2-yl]-1,3-oxazole (CID 141050971) is 2-[5-[5-(furan-2-yl)-2H-triazol-4-yl]-4-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yltetrazolidin-2-yl]-1,3-oxazole.

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

The canonical SMILES for 2-[5-[5-(furan-2-yl)-2H-triazol-4-yl]-4-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yltetrazolidin-2-yl]-1,3-oxazole is c1c[nH]c(N2N(c3ncco3)N(c3nccs3)N(c3ncc[nH]3)C2(c2cccs2)c2n[nH]nc2-c2ccco2)c1.

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

The InChIKey is NENZAAAQXGORSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N12O2S2/c1-6-18(25-7-1)33-24(17-5-3-14-39-17,20-19(30-32-31-20)16-4-2-12-37-16)34(21-26-8-9-27-21)36(23-29-11-15-40-23)35(33)22-28-10-13-38-22/h1-15,25H,(H,26,27)(H,30,31,32).

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

2-[5-[5-(furan-2-yl)-2H-triazol-4-yl]-4-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yltetrazolidin-2-yl]-1,3-oxazole has a molecular weight of 570.62 g/mol, XLogP of 4.61, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[5-(furan-2-yl)-2H-triazol-4-yl]-4-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yltetrazolidin-2-yl]-1,3-oxazole is sourced from PubChem (CID 141050971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).