N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-1-yl-1,3-thiazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(4-phenylpyrazol-1-yl)-1,3-thiazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenylthiadiazole-5-carboxamide;N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-2-yl-1,3-thiazole-5-carboxamide;N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide

C129H111N27O18S5 — CID 159845150

About N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-1-yl-1,3-thiazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(4-phenylpyrazol-1-yl)-1,3-thiazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenylthiadiazole-5-carboxamide;N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-2-yl-1,3-thiazole-5-carboxamide;N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide

N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-1-yl-1,3-thiazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(4-phenylpyrazol-1-yl)-1,3-thiazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenylthiadiazole-5-carboxamide;N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-2-yl-1,3-thiazole-5-carboxamide;N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 159845150) has the molecular formula C129H111N27O18S5 and a molecular weight of 2487.81 g/mol. Its IUPAC name is N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-1-yl-1,3-thiazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(4-phenylpyrazol-1-yl)-1,3-thiazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenylthiadiazole-5-carboxamide;N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-2-yl-1,3-thiazole-5-carboxamide;N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-1-yl-1,3-thiazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(4-phenylpyrazol-1-yl)-1,3-thiazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenylthiadiazole-5-carboxamide;N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-2-yl-1,3-thiazole-5-carboxamide;N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 159845150
• Molecular Formula: C129H111N27O18S5
• Molecular Weight: 2487.81 g/mol
• Exact Mass: 2485.72
• IUPAC Name: N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-1-yl-1,3-thiazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(4-phenylpyrazol-1-yl)-1,3-thiazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenylthiadiazole-5-carboxamide;N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-2-yl-1,3-thiazole-5-carboxamide;N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide
• SMILES: NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1scnc1-n1cc(-c2ccccc2)cn1.NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1[nH]cnc1-c1ccccc1.NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1scnc1-n1ncc2ccccc21.NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1snnc1-c1ccccc1.O=C(NC1CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1scnc1-c1ccccn1.O=C(NC1CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1scnc1-n1cc2ccccc2n1
• InChI: InChI=1S/C24H21N5O3S.C23H19N5O3S.C22H20N4O3S.C21H17N5O3S.C20H18N4O3.C19H16N4O3S/c30-20(23(31)26-17-10-11-17)19(12-15-6-2-1-3-7-15)27-24(32)21-22(25-14-33-21)29-13-16-8-4-5-9-18(16)28-29;24-21(30)19(29)18(11-15-7-3-1-4-8-15)27-23(31)20-22(25-14-32-20)28-13-17(12-26-28)16-9-5-2-6-10-16;27-19(21(28)25-15-9-10-15)17(12-14-6-2-1-3-7-14)26-22(29)20-18(24-13-30-20)16-8-4-5-11-23-16;22-19(28)17(27)15(10-13-6-2-1-3-7-13)25-21(29)18-20(23-12-30-18)26-16-9-5-4-8-14(16)11-24-26;21-19(26)18(25)15(11-13-7-3-1-4-8-13)24-20(27)17-16(22-12-23-17)14-9-5-2-6-10-14;20-18(25)16(24)14(11-12-7-3-1-4-8-12)21-19(26)17-15(22-23-27-17)13-9-5-2-6-10-13/h1-9,13-14,17,19H,10-12H2,(H,26,31)(H,27,32);1-10,12-14,18H,11H2,(H2,24,30)(H,27,31);1-8,11,13,15,17H,9-10,12H2,(H,25,28)(H,26,29);1-9,11-12,15H,10H2,(H2,22,28)(H,25,29);1-10,12,15H,11H2,(H2,21,26)(H,22,23)(H,24,27);1-10,14H,11H2,(H2,20,25)(H,21,26)/t19-;;17-;2*15-;14-/m0.0000/s1
• InChIKey: NPEWJZVTXCJQTN-SBXOPDLOSA-N
• XLogP: 12.41
• TPSA: 679.95 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 37
• Rotatable Bonds: 45
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2487.81
LogP ≤ 5	12.41
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-1-yl-1,3-thiazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(4-phenylpyrazol-1-yl)-1,3-thiazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenylthiadiazole-5-carboxamide;N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-2-yl-1,3-thiazole-5-carboxamide;N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-1-yl-1,3-thiazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(4-phenylpyrazol-1-yl)-1,3-thiazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenylthiadiazole-5-carboxamide;N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-2-yl-1,3-thiazole-5-carboxamide;N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 159845150) is N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-1-yl-1,3-thiazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(4-phenylpyrazol-1-yl)-1,3-thiazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenylthiadiazole-5-carboxamide;N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-2-yl-1,3-thiazole-5-carboxamide;N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-1-yl-1,3-thiazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(4-phenylpyrazol-1-yl)-1,3-thiazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenylthiadiazole-5-carboxamide;N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-2-yl-1,3-thiazole-5-carboxamide;N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-1-yl-1,3-thiazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(4-phenylpyrazol-1-yl)-1,3-thiazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenylthiadiazole-5-carboxamide;N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-2-yl-1,3-thiazole-5-carboxamide;N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide is NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1scnc1-n1cc(-c2ccccc2)cn1.NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1[nH]cnc1-c1ccccc1.NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1scnc1-n1ncc2ccccc21.NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1snnc1-c1ccccc1.O=C(NC1CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1scnc1-c1ccccn1.O=C(NC1CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1scnc1-n1cc2ccccc2n1.

What is the InChIKey of N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-1-yl-1,3-thiazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(4-phenylpyrazol-1-yl)-1,3-thiazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenylthiadiazole-5-carboxamide;N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-2-yl-1,3-thiazole-5-carboxamide;N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide?

The InChIKey is NPEWJZVTXCJQTN-SBXOPDLOSA-N. The full InChI is InChI=1S/C24H21N5O3S.C23H19N5O3S.C22H20N4O3S.C21H17N5O3S.C20H18N4O3.C19H16N4O3S/c30-20(23(31)26-17-10-11-17)19(12-15-6-2-1-3-7-15)27-24(32)21-22(25-14-33-21)29-13-16-8-4-5-9-18(16)28-29;24-21(30)19(29)18(11-15-7-3-1-4-8-15)27-23(31)20-22(25-14-32-20)28-13-17(12-26-28)16-9-5-2-6-10-16;27-19(21(28)25-15-9-10-15)17(12-14-6-2-1-3-7-14)26-22(29)20-18(24-13-30-20)16-8-4-5-11-23-16;22-19(28)17(27)15(10-13-6-2-1-3-7-13)25-21(29)18-20(23-12-30-18)26-16-9-5-4-8-14(16)11-24-26;21-19(26)18(25)15(11-13-7-3-1-4-8-13)24-20(27)17-16(22-12-23-17)14-9-5-2-6-10-14;20-18(25)16(24)14(11-12-7-3-1-4-8-12)21-19(26)17-15(22-23-27-17)13-9-5-2-6-10-13/h1-9,13-14,17,19H,10-12H2,(H,26,31)(H,27,32);1-10,12-14,18H,11H2,(H2,24,30)(H,27,31);1-8,11,13,15,17H,9-10,12H2,(H,25,28)(H,26,29);1-9,11-12,15H,10H2,(H2,22,28)(H,25,29);1-10,12,15H,11H2,(H2,21,26)(H,22,23)(H,24,27);1-10,14H,11H2,(H2,20,25)(H,21,26)/t19-;;17-;2*15-;14-/m0.0000/s1.

What are the key properties of N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-1-yl-1,3-thiazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(4-phenylpyrazol-1-yl)-1,3-thiazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenylthiadiazole-5-carboxamide;N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-2-yl-1,3-thiazole-5-carboxamide;N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide?

N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-1-yl-1,3-thiazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(4-phenylpyrazol-1-yl)-1,3-thiazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenylthiadiazole-5-carboxamide;N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-2-yl-1,3-thiazole-5-carboxamide;N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 2487.81 g/mol, XLogP of 12.41, 45 rotatable bonds, 13 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-1-yl-1,3-thiazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(4-phenylpyrazol-1-yl)-1,3-thiazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenylthiadiazole-5-carboxamide;N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-2-yl-1,3-thiazole-5-carboxamide;N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 159845150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).