2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-2-thiophen-2-yl-4-(triazin-4-yl)-1-(2H-triazol-4-yl)-4H-pyrimidin-3-yl]-1,3-thiazole

C24H17N15OS2 — CID 141126487

About 2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-2-thiophen-2-yl-4-(triazin-4-yl)-1-(2H-triazol-4-yl)-4H-pyrimidin-3-yl]-1,3-thiazole

2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-2-thiophen-2-yl-4-(triazin-4-yl)-1-(2H-triazol-4-yl)-4H-pyrimidin-3-yl]-1,3-thiazole (PubChem CID 141126487) has the molecular formula C24H17N15OS2 and a molecular weight of 595.64 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-2-thiophen-2-yl-4-(triazin-4-yl)-1-(2H-triazol-4-yl)-4H-pyrimidin-3-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-2-thiophen-2-yl-4-(triazin-4-yl)-1-(2H-triazol-4-yl)-4H-pyrimidin-3-yl]-1,3-thiazole
• PubChem CID: 141126487
• Molecular Formula: C24H17N15OS2
• Molecular Weight: 595.64 g/mol
• Exact Mass: 595.12
• IUPAC Name: 2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-2-thiophen-2-yl-4-(triazin-4-yl)-1-(2H-triazol-4-yl)-4H-pyrimidin-3-yl]-1,3-thiazole
• SMILES: c1coc(C2=C(c3nn[nH]n3)N(c3cn[nH]n3)C(c3ncc[nH]3)(c3cccs3)N(c3nccs3)C2c2ccnnn2)c1
• InChI: InChI=1S/C24H17N15OS2/c1-3-15(40-10-1)18-19(14-5-6-28-34-30-14)39(23-27-9-12-42-23)24(16-4-2-11-41-16,22-25-7-8-26-22)38(17-13-29-35-31-17)20(18)21-32-36-37-33-21/h1-13,19H,(H,25,26)(H,29,31,35)(H,32,33,36,37)
• InChIKey: KGPRMSKPPKLCIC-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 195.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	595.64
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-2-thiophen-2-yl-4-(triazin-4-yl)-1-(2H-triazol-4-yl)-4H-pyrimidin-3-yl]-1,3-thiazole?

The IUPAC name of 2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-2-thiophen-2-yl-4-(triazin-4-yl)-1-(2H-triazol-4-yl)-4H-pyrimidin-3-yl]-1,3-thiazole (CID 141126487) is 2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-2-thiophen-2-yl-4-(triazin-4-yl)-1-(2H-triazol-4-yl)-4H-pyrimidin-3-yl]-1,3-thiazole.

What is the SMILES notation for 2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-2-thiophen-2-yl-4-(triazin-4-yl)-1-(2H-triazol-4-yl)-4H-pyrimidin-3-yl]-1,3-thiazole?

The canonical SMILES for 2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-2-thiophen-2-yl-4-(triazin-4-yl)-1-(2H-triazol-4-yl)-4H-pyrimidin-3-yl]-1,3-thiazole is c1coc(C2=C(c3nn[nH]n3)N(c3cn[nH]n3)C(c3ncc[nH]3)(c3cccs3)N(c3nccs3)C2c2ccnnn2)c1.

What is the InChIKey of 2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-2-thiophen-2-yl-4-(triazin-4-yl)-1-(2H-triazol-4-yl)-4H-pyrimidin-3-yl]-1,3-thiazole?

The InChIKey is KGPRMSKPPKLCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N15OS2/c1-3-15(40-10-1)18-19(14-5-6-28-34-30-14)39(23-27-9-12-42-23)24(16-4-2-11-41-16,22-25-7-8-26-22)38(17-13-29-35-31-17)20(18)21-32-36-37-33-21/h1-13,19H,(H,25,26)(H,29,31,35)(H,32,33,36,37).

What are the key properties of 2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-2-thiophen-2-yl-4-(triazin-4-yl)-1-(2H-triazol-4-yl)-4H-pyrimidin-3-yl]-1,3-thiazole?

2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-2-thiophen-2-yl-4-(triazin-4-yl)-1-(2H-triazol-4-yl)-4H-pyrimidin-3-yl]-1,3-thiazole has a molecular weight of 595.64 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-2-thiophen-2-yl-4-(triazin-4-yl)-1-(2H-triazol-4-yl)-4H-pyrimidin-3-yl]-1,3-thiazole is sourced from PubChem (CID 141126487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).