4-[5-(furan-2-yl)-5-(1H-pyrazol-5-yl)-1-pyridin-2-yl-4-(2H-tetrazol-5-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrol-3-yl]thiadiazole

C26H17N11OS3 — CID 140973854

About 4-[5-(furan-2-yl)-5-(1H-pyrazol-5-yl)-1-pyridin-2-yl-4-(2H-tetrazol-5-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrol-3-yl]thiadiazole

4-[5-(furan-2-yl)-5-(1H-pyrazol-5-yl)-1-pyridin-2-yl-4-(2H-tetrazol-5-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrol-3-yl]thiadiazole (PubChem CID 140973854) has the molecular formula C26H17N11OS3 and a molecular weight of 595.70 g/mol. Its IUPAC name is 4-[5-(furan-2-yl)-5-(1H-pyrazol-5-yl)-1-pyridin-2-yl-4-(2H-tetrazol-5-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrol-3-yl]thiadiazole.

Molecular Properties

• Compound Name: 4-[5-(furan-2-yl)-5-(1H-pyrazol-5-yl)-1-pyridin-2-yl-4-(2H-tetrazol-5-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrol-3-yl]thiadiazole
• PubChem CID: 140973854
• Molecular Formula: C26H17N11OS3
• Molecular Weight: 595.70 g/mol
• Exact Mass: 595.08
• IUPAC Name: 4-[5-(furan-2-yl)-5-(1H-pyrazol-5-yl)-1-pyridin-2-yl-4-(2H-tetrazol-5-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrol-3-yl]thiadiazole
• SMILES: c1ccc(N2C(c3nccs3)=C(c3csnn3)C(c3nn[nH]n3)(c3cccs3)C2(c2ccn[nH]2)c2ccco2)nc1
• InChI: InChI=1S/C26H17N11OS3/c1-2-9-27-20(7-1)37-22(23-28-11-14-40-23)21(16-15-41-36-30-16)25(19-6-4-13-39-19,24-32-34-35-33-24)26(37,17-8-10-29-31-17)18-5-3-12-38-18/h1-15H,(H,29,31)(H,32,33,34,35)
• InChIKey: JUQCORJEGOACBD-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 151.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	595.70
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 4-[5-(furan-2-yl)-5-(1H-pyrazol-5-yl)-1-pyridin-2-yl-4-(2H-tetrazol-5-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrol-3-yl]thiadiazole?

The IUPAC name of 4-[5-(furan-2-yl)-5-(1H-pyrazol-5-yl)-1-pyridin-2-yl-4-(2H-tetrazol-5-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrol-3-yl]thiadiazole (CID 140973854) is 4-[5-(furan-2-yl)-5-(1H-pyrazol-5-yl)-1-pyridin-2-yl-4-(2H-tetrazol-5-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrol-3-yl]thiadiazole.

What is the SMILES notation for 4-[5-(furan-2-yl)-5-(1H-pyrazol-5-yl)-1-pyridin-2-yl-4-(2H-tetrazol-5-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrol-3-yl]thiadiazole?

The canonical SMILES for 4-[5-(furan-2-yl)-5-(1H-pyrazol-5-yl)-1-pyridin-2-yl-4-(2H-tetrazol-5-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrol-3-yl]thiadiazole is c1ccc(N2C(c3nccs3)=C(c3csnn3)C(c3nn[nH]n3)(c3cccs3)C2(c2ccn[nH]2)c2ccco2)nc1.

What is the InChIKey of 4-[5-(furan-2-yl)-5-(1H-pyrazol-5-yl)-1-pyridin-2-yl-4-(2H-tetrazol-5-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrol-3-yl]thiadiazole?

The InChIKey is JUQCORJEGOACBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N11OS3/c1-2-9-27-20(7-1)37-22(23-28-11-14-40-23)21(16-15-41-36-30-16)25(19-6-4-13-39-19,24-32-34-35-33-24)26(37,17-8-10-29-31-17)18-5-3-12-38-18/h1-15H,(H,29,31)(H,32,33,34,35).

What are the key properties of 4-[5-(furan-2-yl)-5-(1H-pyrazol-5-yl)-1-pyridin-2-yl-4-(2H-tetrazol-5-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrol-3-yl]thiadiazole?

4-[5-(furan-2-yl)-5-(1H-pyrazol-5-yl)-1-pyridin-2-yl-4-(2H-tetrazol-5-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrol-3-yl]thiadiazole has a molecular weight of 595.70 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(furan-2-yl)-5-(1H-pyrazol-5-yl)-1-pyridin-2-yl-4-(2H-tetrazol-5-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrol-3-yl]thiadiazole is sourced from PubChem (CID 140973854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).