3-[6-(1H-imidazol-2-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-5-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazin-2-yl]-1,2-thiazole

C24H16N12S2 — CID 141420231

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

3-[6-(1H-imidazol-2-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-5-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazin-2-yl]-1,2-thiazole (PubChem CID 141420231) has the molecular formula C24H16N12S2 and a molecular weight of 536.61 g/mol. Its IUPAC name is 3-[6-(1H-imidazol-2-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-5-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazin-2-yl]-1,2-thiazole.

Molecular Properties

• Compound Name: 3-[6-(1H-imidazol-2-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-5-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazin-2-yl]-1,2-thiazole
• PubChem CID: 141420231
• Molecular Formula: C24H16N12S2
• Molecular Weight: 536.61 g/mol
• Exact Mass: 536.11
• IUPAC Name: 3-[6-(1H-imidazol-2-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-5-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazin-2-yl]-1,2-thiazole
• SMILES: c1ccc(C2(c3nn[nH]n3)C(c3ncc[nH]3)=NC(c3ccsn3)=C(c3cccs3)N2c2ncccn2)nc1
• InChI: InChI=1S/C24H16N12S2/c1-2-8-25-17(6-1)24(22-31-34-35-32-22)20(21-26-11-12-27-21)30-18(15-7-14-38-33-15)19(16-5-3-13-37-16)36(24)23-28-9-4-10-29-23/h1-14H,(H,26,27)(H,31,32,34,35)
• InChIKey: ZBYCSZAOTDANFG-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 150.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.61
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 3-[6-(1H-imidazol-2-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-5-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazin-2-yl]-1,2-thiazole (CID 141420231) is 3-[6-(1H-imidazol-2-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-5-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazin-2-yl]-1,2-thiazole.

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

The canonical SMILES for 3-[6-(1H-imidazol-2-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-5-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazin-2-yl]-1,2-thiazole is c1ccc(C2(c3nn[nH]n3)C(c3ncc[nH]3)=NC(c3ccsn3)=C(c3cccs3)N2c2ncccn2)nc1.

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

The InChIKey is ZBYCSZAOTDANFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N12S2/c1-2-8-25-17(6-1)24(22-31-34-35-32-22)20(21-26-11-12-27-21)30-18(15-7-14-38-33-15)19(16-5-3-13-37-16)36(24)23-28-9-4-10-29-23/h1-14H,(H,26,27)(H,31,32,34,35).

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

3-[6-(1H-imidazol-2-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-5-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazin-2-yl]-1,2-thiazole has a molecular weight of 536.61 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-(1H-imidazol-2-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-5-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazin-2-yl]-1,2-thiazole is sourced from PubChem (CID 141420231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).