2-[4-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole

C25H17N13OS2 — CID 141050940

About 2-[4-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole

2-[4-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole (PubChem CID 141050940) has the molecular formula C25H17N13OS2 and a molecular weight of 579.64 g/mol. Its IUPAC name is 2-[4-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[4-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole
• PubChem CID: 141050940
• Molecular Formula: C25H17N13OS2
• Molecular Weight: 579.64 g/mol
• Exact Mass: 579.11
• IUPAC Name: 2-[4-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole
• SMILES: c1c[nH]c(N2C(c3ncco3)=C(c3nccs3)C(c3ncc[nH]3)=C(c3cn[nH]n3)C2(c2nn[nH]n2)c2cccs2)c1
• InChI: InChI=1S/C25H17N13OS2/c1-4-16(26-5-1)38-20(22-29-8-10-39-22)18(23-30-9-12-41-23)17(21-27-6-7-28-21)19(14-13-31-35-32-14)25(38,15-3-2-11-40-15)24-33-36-37-34-24/h1-13,26H,(H,27,28)(H,31,32,35)(H,33,34,36,37)
• InChIKey: GSUYUXIIHKSMND-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 182.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.64
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole?

The IUPAC name of 2-[4-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole (CID 141050940) is 2-[4-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole.

What is the SMILES notation for 2-[4-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole?

The canonical SMILES for 2-[4-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole is c1c[nH]c(N2C(c3ncco3)=C(c3nccs3)C(c3ncc[nH]3)=C(c3cn[nH]n3)C2(c2nn[nH]n2)c2cccs2)c1.

What is the InChIKey of 2-[4-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole?

The InChIKey is GSUYUXIIHKSMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N13OS2/c1-4-16(26-5-1)38-20(22-29-8-10-39-22)18(23-30-9-12-41-23)17(21-27-6-7-28-21)19(14-13-31-35-32-14)25(38,15-3-2-11-40-15)24-33-36-37-34-24/h1-13,26H,(H,27,28)(H,31,32,35)(H,33,34,36,37).

What are the key properties of 2-[4-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole?

2-[4-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole has a molecular weight of 579.64 g/mol, XLogP of 3.82, 7 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 141050940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).