N-[4-[3-(4-acetylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;5-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide;N-[4-(3-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3-(4-isocyanophenyl)-5-[2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoic acid;N-[4-[5-(4-isocyanophenyl)-3-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

C133H106N28O9S11 — CID 161212258

About N-[4-[3-(4-acetylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;5-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide;N-[4-(3-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3-(4-isocyanophenyl)-5-[2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoic acid;N-[4-[5-(4-isocyanophenyl)-3-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

N-[4-[3-(4-acetylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;5-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide;N-[4-(3-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3-(4-isocyanophenyl)-5-[2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoic acid;N-[4-[5-(4-isocyanophenyl)-3-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 161212258) has the molecular formula C133H106N28O9S11 and a molecular weight of 2593.23 g/mol. Its IUPAC name is N-[4-[3-(4-acetylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;5-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide;N-[4-(3-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3-(4-isocyanophenyl)-5-[2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoic acid;N-[4-[5-(4-isocyanophenyl)-3-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[3-(4-acetylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;5-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide;N-[4-(3-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3-(4-isocyanophenyl)-5-[2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoic acid;N-[4-[5-(4-isocyanophenyl)-3-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
• PubChem CID: 161212258
• Molecular Formula: C133H106N28O9S11
• Molecular Weight: 2593.23 g/mol
• Exact Mass: 2590.56
• IUPAC Name: N-[4-[3-(4-acetylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;5-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide;N-[4-(3-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3-(4-isocyanophenyl)-5-[2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoic acid;N-[4-[5-(4-isocyanophenyl)-3-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
• SMILES: CSc1ncccc1C(=O)Nc1nc(-c2cccc(-c3ccncc3)c2)cs1.CSc1ncccc1C(=O)Nc1nc(-c2cccc(-n3ccnc3)c2)cs1.CSc1ncccc1C(=O)Nc1nc(-c2cccc(N3CCN(C(C)=O)CC3)c2)cs1.[C-]#[N+]c1ccc(-c2cc(C(=O)O)cc(-c3csc(NC(=O)c4cccnc4SC)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cccc(-c3csc(NC(=O)c4ncc(C(C)(C)C)cn4)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cncc(-c3csc(NC(=O)c4cccnc4SC)n3)c2)cc1
• InChI: InChI=1S/C25H21N5OS.C24H16N4O3S2.C22H23N5O2S2.C22H15N5OS2.C21H16N4OS2.C19H15N5OS2/c1-25(2,3)19-13-27-22(28-14-19)23(31)30-24-29-21(15-32-24)18-7-5-6-17(12-18)16-8-10-20(26-4)11-9-16;1-25-18-7-5-14(6-8-18)15-10-16(12-17(11-15)23(30)31)20-13-33-24(27-20)28-21(29)19-4-3-9-26-22(19)32-2;1-15(28)26-9-11-27(12-10-26)17-6-3-5-16(13-17)19-14-31-22(24-19)25-20(29)18-7-4-8-23-21(18)30-2;1-23-17-7-5-14(6-8-17)15-10-16(12-24-11-15)19-13-30-22(26-19)27-20(28)18-4-3-9-25-21(18)29-2;1-27-20-17(6-3-9-23-20)19(26)25-21-24-18(13-28-21)16-5-2-4-15(12-16)14-7-10-22-11-8-14;1-26-18-15(6-3-7-21-18)17(25)23-19-22-16(11-27-19)13-4-2-5-14(10-13)24-9-8-20-12-24/h5-15H,1-3H3,(H,29,30,31);3-13H,2H3,(H,30,31)(H,27,28,29);3-8,13-14H,9-12H2,1-2H3,(H,24,25,29);3-13H,2H3,(H,26,27,28);2-13H,1H3,(H,24,25,26);2-12H,1H3,(H,22,23,25)
• InChIKey: UWJWUGIICSDRKC-UHFFFAOYSA-N
• XLogP: 31.71
• TPSA: 459.70 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 30
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2593.23
LogP ≤ 5	31.71
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-acetylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;5-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide;N-[4-(3-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3-(4-isocyanophenyl)-5-[2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoic acid;N-[4-[5-(4-isocyanophenyl)-3-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?

The IUPAC name of N-[4-[3-(4-acetylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;5-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide;N-[4-(3-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3-(4-isocyanophenyl)-5-[2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoic acid;N-[4-[5-(4-isocyanophenyl)-3-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 161212258) is N-[4-[3-(4-acetylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;5-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide;N-[4-(3-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3-(4-isocyanophenyl)-5-[2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoic acid;N-[4-[5-(4-isocyanophenyl)-3-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[4-[3-(4-acetylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;5-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide;N-[4-(3-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3-(4-isocyanophenyl)-5-[2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoic acid;N-[4-[5-(4-isocyanophenyl)-3-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[4-[3-(4-acetylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;5-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide;N-[4-(3-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3-(4-isocyanophenyl)-5-[2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoic acid;N-[4-[5-(4-isocyanophenyl)-3-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1nc(-c2cccc(-c3ccncc3)c2)cs1.CSc1ncccc1C(=O)Nc1nc(-c2cccc(-n3ccnc3)c2)cs1.CSc1ncccc1C(=O)Nc1nc(-c2cccc(N3CCN(C(C)=O)CC3)c2)cs1.[C-]#[N+]c1ccc(-c2cc(C(=O)O)cc(-c3csc(NC(=O)c4cccnc4SC)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cccc(-c3csc(NC(=O)c4ncc(C(C)(C)C)cn4)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cncc(-c3csc(NC(=O)c4cccnc4SC)n3)c2)cc1.

What is the InChIKey of N-[4-[3-(4-acetylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;5-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide;N-[4-(3-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3-(4-isocyanophenyl)-5-[2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoic acid;N-[4-[5-(4-isocyanophenyl)-3-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?

The InChIKey is UWJWUGIICSDRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5OS.C24H16N4O3S2.C22H23N5O2S2.C22H15N5OS2.C21H16N4OS2.C19H15N5OS2/c1-25(2,3)19-13-27-22(28-14-19)23(31)30-24-29-21(15-32-24)18-7-5-6-17(12-18)16-8-10-20(26-4)11-9-16;1-25-18-7-5-14(6-8-18)15-10-16(12-17(11-15)23(30)31)20-13-33-24(27-20)28-21(29)19-4-3-9-26-22(19)32-2;1-15(28)26-9-11-27(12-10-26)17-6-3-5-16(13-17)19-14-31-22(24-19)25-20(29)18-7-4-8-23-21(18)30-2;1-23-17-7-5-14(6-8-17)15-10-16(12-24-11-15)19-13-30-22(26-19)27-20(28)18-4-3-9-25-21(18)29-2;1-27-20-17(6-3-9-23-20)19(26)25-21-24-18(13-28-21)16-5-2-4-15(12-16)14-7-10-22-11-8-14;1-26-18-15(6-3-7-21-18)17(25)23-19-22-16(11-27-19)13-4-2-5-14(10-13)24-9-8-20-12-24/h5-15H,1-3H3,(H,29,30,31);3-13H,2H3,(H,30,31)(H,27,28,29);3-8,13-14H,9-12H2,1-2H3,(H,24,25,29);3-13H,2H3,(H,26,27,28);2-13H,1H3,(H,24,25,26);2-12H,1H3,(H,22,23,25).

What are the key properties of N-[4-[3-(4-acetylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;5-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide;N-[4-(3-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3-(4-isocyanophenyl)-5-[2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoic acid;N-[4-[5-(4-isocyanophenyl)-3-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?

N-[4-[3-(4-acetylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;5-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide;N-[4-(3-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3-(4-isocyanophenyl)-5-[2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoic acid;N-[4-[5-(4-isocyanophenyl)-3-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 2593.23 g/mol, XLogP of 31.71, 30 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-(4-acetylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;5-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide;N-[4-(3-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3-(4-isocyanophenyl)-5-[2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoic acid;N-[4-[5-(4-isocyanophenyl)-3-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 161212258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).