N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,3-difluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluoro-2-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyrimidin-4-yl-1,2,5-thiadiazole-3-carboxamide

C₁₁₁H₉₁F₃N₂₈O₁₈S₆ — CID 158723408

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,3-difluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluoro-2-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyrimidin-4-yl-1,2,5-thiadiazole-3-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,3-difluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluoro-2-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyrimidin-4-yl-1,2,5-thiadiazole-3-carboxamide (PubChem CID 158723408) has the molecular formula C₁₁₁H₉₁F₃N₂₈O₁₈S₆ and a molecular weight of 2354.52 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,3-difluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluoro-2-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyrimidin-4-yl-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,3-difluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluoro-2-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyrimidin-4-yl-1,2,5-thiadiazole-3-carboxamide
• PubChem CID: 158723408
• Molecular Formula: C₁₁₁H₉₁F₃N₂₈O₁₈S₆
• Molecular Weight: 2354.52 g/mol
• Exact Mass: 2352.53
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,3-difluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluoro-2-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyrimidin-4-yl-1,2,5-thiadiazole-3-carboxamide
• SMILES: Cc1c(F)cccc1-c1nsnc1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1cccc(F)c1F.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1ccccn1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1cccnc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1ccncn1
• InChI: InChI=1S/C20H17FN4O3S.C19H14F2N4O3S.C19H16N4O3S.2C18H15N5O3S.C17H14N6O3S/c1-11-13(8-5-9-14(11)21)16-17(25-29-24-16)20(28)23-15(18(26)19(22)27)10-12-6-3-2-4-7-12;20-12-8-4-7-11(14(12)21)15-16(25-29-24-15)19(28)23-13(17(26)18(22)27)9-10-5-2-1-3-6-10;20-18(25)17(24)14(11-12-7-3-1-4-8-12)21-19(26)16-15(22-27-23-16)13-9-5-2-6-10-13;19-17(25)16(24)13(10-11-6-2-1-3-7-11)21-18(26)15-14(22-27-23-15)12-8-4-5-9-20-12;19-17(25)16(24)13(9-11-5-2-1-3-6-11)21-18(26)15-14(22-27-23-15)12-7-4-8-20-10-12;18-16(25)15(24)12(8-10-4-2-1-3-5-10)21-17(26)14-13(22-27-23-14)11-6-7-19-9-20-11/h2-9,15H,10H2,1H3,(H2,22,27)(H,23,28);1-8,13H,9H2,(H2,22,27)(H,23,28);1-10,14H,11H2,(H2,20,25)(H,21,26);1-9,13H,10H2,(H2,19,25)(H,21,26);1-8,10,13H,9H2,(H2,19,25)(H,21,26);1-7,9,12H,8H2,(H2,18,25)(H,21,26)
• InChIKey: IKEURSHKQIOYLS-UHFFFAOYSA-N
• XLogP: 7.91
• TPSA: 741.80 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 40
• Rotatable Bonds: 42
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2354.52
LogP ≤ 5	7.91
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,3-difluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluoro-2-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyrimidin-4-yl-1,2,5-thiadiazole-3-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,3-difluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluoro-2-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyrimidin-4-yl-1,2,5-thiadiazole-3-carboxamide (CID 158723408) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,3-difluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluoro-2-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyrimidin-4-yl-1,2,5-thiadiazole-3-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,3-difluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluoro-2-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyrimidin-4-yl-1,2,5-thiadiazole-3-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,3-difluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluoro-2-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyrimidin-4-yl-1,2,5-thiadiazole-3-carboxamide is Cc1c(F)cccc1-c1nsnc1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1cccc(F)c1F.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1ccccn1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1cccnc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1ccncn1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,3-difluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluoro-2-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyrimidin-4-yl-1,2,5-thiadiazole-3-carboxamide?

The InChIKey is IKEURSHKQIOYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3S.C19H14F2N4O3S.C19H16N4O3S.2C18H15N5O3S.C17H14N6O3S/c1-11-13(8-5-9-14(11)21)16-17(25-29-24-16)20(28)23-15(18(26)19(22)27)10-12-6-3-2-4-7-12;20-12-8-4-7-11(14(12)21)15-16(25-29-24-15)19(28)23-13(17(26)18(22)27)9-10-5-2-1-3-6-10;20-18(25)17(24)14(11-12-7-3-1-4-8-12)21-19(26)16-15(22-27-23-16)13-9-5-2-6-10-13;19-17(25)16(24)13(10-11-6-2-1-3-7-11)21-18(26)15-14(22-27-23-15)12-8-4-5-9-20-12;19-17(25)16(24)13(9-11-5-2-1-3-6-11)21-18(26)15-14(22-27-23-15)12-7-4-8-20-10-12;18-16(25)15(24)12(8-10-4-2-1-3-5-10)21-17(26)14-13(22-27-23-14)11-6-7-19-9-20-11/h2-9,15H,10H2,1H3,(H2,22,27)(H,23,28);1-8,13H,9H2,(H2,22,27)(H,23,28);1-10,14H,11H2,(H2,20,25)(H,21,26);1-9,13H,10H2,(H2,19,25)(H,21,26);1-8,10,13H,9H2,(H2,19,25)(H,21,26);1-7,9,12H,8H2,(H2,18,25)(H,21,26).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,3-difluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluoro-2-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyrimidin-4-yl-1,2,5-thiadiazole-3-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,3-difluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluoro-2-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyrimidin-4-yl-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 2354.52 g/mol, XLogP of 7.91, 42 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,3-difluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluoro-2-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyrimidin-4-yl-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 158723408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158723408 — identifiers, structure, computed properties (public domain)

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