1-fluoro-3-methanidyloxybenzene;N-(5-pyridin-3-yl-1H-imidazol-2-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;[2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]azanide;tungsten(2+)

C66H54FN29O5S5W — CID 158976274

About 1-fluoro-3-methanidyloxybenzene;N-(5-pyridin-3-yl-1H-imidazol-2-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;[2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]azanide;tungsten(2+)

1-fluoro-3-methanidyloxybenzene;N-(5-pyridin-3-yl-1H-imidazol-2-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;[2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]azanide;tungsten(2+) (PubChem CID 158976274) has the molecular formula C66H54FN29O5S5W and a molecular weight of 1696.53 g/mol. Its IUPAC name is 1-fluoro-3-methanidyloxybenzene;N-(5-pyridin-3-yl-1H-imidazol-2-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;[2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]azanide;tungsten(2+).

Molecular Properties

• Compound Name: 1-fluoro-3-methanidyloxybenzene;N-(5-pyridin-3-yl-1H-imidazol-2-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;[2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]azanide;tungsten(2+)
• PubChem CID: 158976274
• Molecular Formula: C66H54FN29O5S5W
• Molecular Weight: 1696.53 g/mol
• Exact Mass: 1695.30
• IUPAC Name: 1-fluoro-3-methanidyloxybenzene;N-(5-pyridin-3-yl-1H-imidazol-2-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;[2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]azanide;tungsten(2+)
• SMILES: O=C(CSc1n[nH]c(-c2cccnc2)n1)Nc1n[nH]c(-c2cccnc2)n1.O=C(CSc1n[nH]c(-c2cccnc2)n1)Nc1nc(-c2cccnc2)cs1.O=C(CSc1n[nH]c(-c2cccnc2)n1)Nc1ncc(-c2cccnc2)[nH]1.[CH2-]Oc1cccc(F)c1.[NH-]C(=O)CSc1n[nH]c(-c2cccnc2)n1.[W+2]
• InChI: InChI=1S/C17H14N8OS.C17H13N7OS2.C16H13N9OS.C9H9N5OS.C7H6FO.W/c26-14(22-16-20-9-13(21-16)11-3-1-5-18-7-11)10-27-17-23-15(24-25-17)12-4-2-6-19-8-12;25-14(21-16-20-13(9-26-16)11-3-1-5-18-7-11)10-27-17-22-15(23-24-17)12-4-2-6-19-8-12;26-12(19-15-20-13(22-24-15)10-3-1-5-17-7-10)9-27-16-21-14(23-25-16)11-4-2-6-18-8-11;10-7(15)5-16-9-12-8(13-14-9)6-2-1-3-11-4-6;1-9-7-4-2-3-6(8)5-7;/h1-9H,10H2,(H,23,24,25)(H2,20,21,22,26);1-9H,10H2,(H,20,21,25)(H,22,23,24);1-8H,9H2,(H,21,23,25)(H2,19,20,22,24,26);1-4H,5H2,(H3,10,12,13,14,15);2-5H,1H2;/q;;;;-1;+2/p-1
• InChIKey: JOKXWTRDPBLZKA-UHFFFAOYSA-M
• XLogP: 10.81
• TPSA: 477.05 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1696.53
LogP ≤ 5	10.81
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methanidyloxybenzene;N-(5-pyridin-3-yl-1H-imidazol-2-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;[2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]azanide;tungsten(2+)?

The IUPAC name of 1-fluoro-3-methanidyloxybenzene;N-(5-pyridin-3-yl-1H-imidazol-2-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;[2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]azanide;tungsten(2+) (CID 158976274) is 1-fluoro-3-methanidyloxybenzene;N-(5-pyridin-3-yl-1H-imidazol-2-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;[2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]azanide;tungsten(2+).

What is the SMILES notation for 1-fluoro-3-methanidyloxybenzene;N-(5-pyridin-3-yl-1H-imidazol-2-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;[2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]azanide;tungsten(2+)?

The canonical SMILES for 1-fluoro-3-methanidyloxybenzene;N-(5-pyridin-3-yl-1H-imidazol-2-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;[2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]azanide;tungsten(2+) is O=C(CSc1n[nH]c(-c2cccnc2)n1)Nc1n[nH]c(-c2cccnc2)n1.O=C(CSc1n[nH]c(-c2cccnc2)n1)Nc1nc(-c2cccnc2)cs1.O=C(CSc1n[nH]c(-c2cccnc2)n1)Nc1ncc(-c2cccnc2)[nH]1.[CH2-]Oc1cccc(F)c1.[NH-]C(=O)CSc1n[nH]c(-c2cccnc2)n1.[W+2].

What is the InChIKey of 1-fluoro-3-methanidyloxybenzene;N-(5-pyridin-3-yl-1H-imidazol-2-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;[2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]azanide;tungsten(2+)?

The InChIKey is JOKXWTRDPBLZKA-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H14N8OS.C17H13N7OS2.C16H13N9OS.C9H9N5OS.C7H6FO.W/c26-14(22-16-20-9-13(21-16)11-3-1-5-18-7-11)10-27-17-23-15(24-25-17)12-4-2-6-19-8-12;25-14(21-16-20-13(9-26-16)11-3-1-5-18-7-11)10-27-17-22-15(23-24-17)12-4-2-6-19-8-12;26-12(19-15-20-13(22-24-15)10-3-1-5-17-7-10)9-27-16-21-14(23-25-16)11-4-2-6-18-8-11;10-7(15)5-16-9-12-8(13-14-9)6-2-1-3-11-4-6;1-9-7-4-2-3-6(8)5-7;/h1-9H,10H2,(H,23,24,25)(H2,20,21,22,26);1-9H,10H2,(H,20,21,25)(H,22,23,24);1-8H,9H2,(H,21,23,25)(H2,19,20,22,24,26);1-4H,5H2,(H3,10,12,13,14,15);2-5H,1H2;/q;;;;-1;+2/p-1.

What are the key properties of 1-fluoro-3-methanidyloxybenzene;N-(5-pyridin-3-yl-1H-imidazol-2-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;[2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]azanide;tungsten(2+)?

1-fluoro-3-methanidyloxybenzene;N-(5-pyridin-3-yl-1H-imidazol-2-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;[2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]azanide;tungsten(2+) has a molecular weight of 1696.53 g/mol, XLogP of 10.81, 23 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-fluoro-3-methanidyloxybenzene;N-(5-pyridin-3-yl-1H-imidazol-2-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;[2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]azanide;tungsten(2+) is sourced from PubChem (CID 158976274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).