4-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[3-(3-cyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3,5-difluoro-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-4-methoxybenzamide;2-(1-fluoroethylsulfanyl)-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-phenylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

C187H136F3N29O9S13 — CID 157141438

IUPAC4-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[3-(3-cyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3,5-difluoro-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-4-methoxybenzamide;2-(1-fluoroethylsulfanyl)-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-phenylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1nc(-c2cccc(-c3cccc(C#N)c3)c2)cs1.CSc1ncccc1C(=O)Nc1nc(-c2cccc(-c3ccccc3)c2)cs1.CSc1ncccc1C(=O)Nc1nc(-c2cccc(-c3ccccn3)c2)cs1.[C-]#[N+]c1ccc(-c2cccc(-c3csc(NC(=O)c4cc(F)c(OC)c(F)c4)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cccc(-c3csc(NC(=O)c4ccc(C(C)(C)C)cc4)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cccc(-c3csc(NC(=O)c4cccnc4C)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cccc(-c3csc(NC(=O)c4cccnc4SC(C)F)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cccc(-c3csc(NC(=O)c4cccnc4SC)n3)c2)cc1
InChIInChI=1S/C27H23N3OS.C24H15F2N3O2S.C24H17FN4OS2.2C23H16N4OS2.C23H16N4OS.C22H17N3OS2.C21H16N4OS2/c1-27(2,3)22-12-8-19(9-13-22)25(31)30-26-29-24(17-32-26)21-7-5-6-20(16-21)18-10-14-23(28-4)15-11-18;1-27-18-8-6-14(7-9-18)15-4-3-5-16(10-15)21-13-32-24(28-21)29-23(30)17-11-19(25)22(31-2)20(26)12-17;1-15(25)32-23-20(7-4-12-27-23)22(30)29-24-28-21(14-31-24)18-6-3-5-17(13-18)16-8-10-19(26-2)11-9-16;1-24-18-10-8-15(9-11-18)16-5-3-6-17(13-16)20-14-30-23(26-20)27-21(28)19-7-4-12-25-22(19)29-2;1-29-22-19(9-4-10-25-22)21(28)27-23-26-20(14-30-23)18-8-3-7-17(12-18)16-6-2-5-15(11-16)13-24;1-15-20(7-4-12-25-15)22(28)27-23-26-21(14-29-23)18-6-3-5-17(13-18)16-8-10-19(24-2)11-9-16;1-27-21-18(11-6-12-23-21)20(26)25-22-24-19(14-28-22)17-10-5-9-16(13-17)15-7-3-2-4-8-15;1-27-20-16(8-5-11-23-20)19(26)25-21-24-18(13-28-21)15-7-4-6-14(12-15)17-9-2-3-10-22-17/h5-17H,1-3H3,(H,29,30,31);3-13H,2H3,(H,28,29,30);3-15H,1H3,(H,28,29,30);3-14H,2H3,(H,26,27,28);2-12,14H,1H3,(H,26,27,28);3-14H,1H3,(H,26,27,28);2-14H,1H3,(H,24,25,26);2-13H,1H3,(H,24,25,26)
InChIKeyAKFSJBKXACEEOM-UHFFFAOYSA-N
MW3407.20 g/mol
LogP50.41
Rot. Bonds39

About 4-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[3-(3-cyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3,5-difluoro-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-4-methoxybenzamide;2-(1-fluoroethylsulfanyl)-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-phenylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

4-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[3-(3-cyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3,5-difluoro-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-4-methoxybenzamide;2-(1-fluoroethylsulfanyl)-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-phenylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 157141438) has the molecular formula C187H136F3N29O9S13 and a molecular weight of 3407.20 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[3-(3-cyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3,5-difluoro-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-4-methoxybenzamide;2-(1-fluoroethylsulfanyl)-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-phenylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[3-(3-cyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3,5-difluoro-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-4-methoxybenzamide;2-(1-fluoroethylsulfanyl)-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-phenylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID157141438
Molecular FormulaC187H136F3N29O9S13
Molecular Weight3407.20 g/mol
Exact Mass3403.74
IUPAC Name4-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[3-(3-cyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3,5-difluoro-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-4-methoxybenzamide;2-(1-fluoroethylsulfanyl)-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-phenylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1nc(-c2cccc(-c3cccc(C#N)c3)c2)cs1.CSc1ncccc1C(=O)Nc1nc(-c2cccc(-c3ccccc3)c2)cs1.CSc1ncccc1C(=O)Nc1nc(-c2cccc(-c3ccccn3)c2)cs1.[C-]#[N+]c1ccc(-c2cccc(-c3csc(NC(=O)c4cc(F)c(OC)c(F)c4)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cccc(-c3csc(NC(=O)c4ccc(C(C)(C)C)cc4)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cccc(-c3csc(NC(=O)c4cccnc4C)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cccc(-c3csc(NC(=O)c4cccnc4SC(C)F)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cccc(-c3csc(NC(=O)c4cccnc4SC)n3)c2)cc1
InChIInChI=1S/C27H23N3OS.C24H15F2N3O2S.C24H17FN4OS2.2C23H16N4OS2.C23H16N4OS.C22H17N3OS2.C21H16N4OS2/c1-27(2,3)22-12-8-19(9-13-22)25(31)30-26-29-24(17-32-26)21-7-5-6-20(16-21)18-10-14-23(28-4)15-11-18;1-27-18-8-6-14(7-9-18)15-4-3-5-16(10-15)21-13-32-24(28-21)29-23(30)17-11-19(25)22(31-2)20(26)12-17;1-15(25)32-23-20(7-4-12-27-23)22(30)29-24-28-21(14-31-24)18-6-3-5-17(13-18)16-8-10-19(26-2)11-9-16;1-24-18-10-8-15(9-11-18)16-5-3-6-17(13-16)20-14-30-23(26-20)27-21(28)19-7-4-12-25-22(19)29-2;1-29-22-19(9-4-10-25-22)21(28)27-23-26-20(14-30-23)18-8-3-7-17(12-18)16-6-2-5-15(11-16)13-24;1-15-20(7-4-12-25-15)22(28)27-23-26-21(14-29-23)18-6-3-5-17(13-18)16-8-10-19(24-2)11-9-16;1-27-21-18(11-6-12-23-21)20(26)25-22-24-19(14-28-22)17-10-5-9-16(13-17)15-7-3-2-4-8-15;1-27-20-16(8-5-11-23-20)19(26)25-21-24-18(13-28-21)15-7-4-6-14(12-15)17-9-2-3-10-22-17/h5-17H,1-3H3,(H,29,30,31);3-13H,2H3,(H,28,29,30);3-15H,1H3,(H,28,29,30);3-14H,2H3,(H,26,27,28);2-12,14H,1H3,(H,26,27,28);3-14H,1H3,(H,26,27,28);2-14H,1H3,(H,24,25,26);2-13H,1H3,(H,24,25,26)
InChIKeyAKFSJBKXACEEOM-UHFFFAOYSA-N
XLogP50.41
TPSA480.97 Ų
H-Bond Donors8
H-Bond Acceptors38
Rotatable Bonds39
Heavy Atoms241
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003407.20
LogP ≤ 550.41
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[3-(3-cyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3,5-difluoro-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-4-methoxybenzamide;2-(1-fluoroethylsulfanyl)-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-phenylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[3-(3-cyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3,5-difluoro-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-4-methoxybenzamide;2-(1-fluoroethylsulfanyl)-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-phenylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 4-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[3-(3-cyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3,5-difluoro-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-4-methoxybenzamide;2-(1-fluoroethylsulfanyl)-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-phenylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 157141438) is 4-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[3-(3-cyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3,5-difluoro-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-4-methoxybenzamide;2-(1-fluoroethylsulfanyl)-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-phenylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[3-(3-cyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3,5-difluoro-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-4-methoxybenzamide;2-(1-fluoroethylsulfanyl)-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-phenylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[3-(3-cyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3,5-difluoro-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-4-methoxybenzamide;2-(1-fluoroethylsulfanyl)-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-phenylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1nc(-c2cccc(-c3cccc(C#N)c3)c2)cs1.CSc1ncccc1C(=O)Nc1nc(-c2cccc(-c3ccccc3)c2)cs1.CSc1ncccc1C(=O)Nc1nc(-c2cccc(-c3ccccn3)c2)cs1.[C-]#[N+]c1ccc(-c2cccc(-c3csc(NC(=O)c4cc(F)c(OC)c(F)c4)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cccc(-c3csc(NC(=O)c4ccc(C(C)(C)C)cc4)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cccc(-c3csc(NC(=O)c4cccnc4C)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cccc(-c3csc(NC(=O)c4cccnc4SC(C)F)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cccc(-c3csc(NC(=O)c4cccnc4SC)n3)c2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[3-(3-cyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3,5-difluoro-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-4-methoxybenzamide;2-(1-fluoroethylsulfanyl)-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-phenylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is AKFSJBKXACEEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3OS.C24H15F2N3O2S.C24H17FN4OS2.2C23H16N4OS2.C23H16N4OS.C22H17N3OS2.C21H16N4OS2/c1-27(2,3)22-12-8-19(9-13-22)25(31)30-26-29-24(17-32-26)21-7-5-6-20(16-21)18-10-14-23(28-4)15-11-18;1-27-18-8-6-14(7-9-18)15-4-3-5-16(10-15)21-13-32-24(28-21)29-23(30)17-11-19(25)22(31-2)20(26)12-17;1-15(25)32-23-20(7-4-12-27-23)22(30)29-24-28-21(14-31-24)18-6-3-5-17(13-18)16-8-10-19(26-2)11-9-16;1-24-18-10-8-15(9-11-18)16-5-3-6-17(13-16)20-14-30-23(26-20)27-21(28)19-7-4-12-25-22(19)29-2;1-29-22-19(9-4-10-25-22)21(28)27-23-26-20(14-30-23)18-8-3-7-17(12-18)16-6-2-5-15(11-16)13-24;1-15-20(7-4-12-25-15)22(28)27-23-26-21(14-29-23)18-6-3-5-17(13-18)16-8-10-19(24-2)11-9-16;1-27-21-18(11-6-12-23-21)20(26)25-22-24-19(14-28-22)17-10-5-9-16(13-17)15-7-3-2-4-8-15;1-27-20-16(8-5-11-23-20)19(26)25-21-24-18(13-28-21)15-7-4-6-14(12-15)17-9-2-3-10-22-17/h5-17H,1-3H3,(H,29,30,31);3-13H,2H3,(H,28,29,30);3-15H,1H3,(H,28,29,30);3-14H,2H3,(H,26,27,28);2-12,14H,1H3,(H,26,27,28);3-14H,1H3,(H,26,27,28);2-14H,1H3,(H,24,25,26);2-13H,1H3,(H,24,25,26).
What are the key properties of 4-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[3-(3-cyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3,5-difluoro-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-4-methoxybenzamide;2-(1-fluoroethylsulfanyl)-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-phenylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
4-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[3-(3-cyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3,5-difluoro-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-4-methoxybenzamide;2-(1-fluoroethylsulfanyl)-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-phenylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 3407.20 g/mol, XLogP of 50.41, 39 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[3-(3-cyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;3,5-difluoro-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-4-methoxybenzamide;2-(1-fluoroethylsulfanyl)-N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-phenylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;2-methylsulfanyl-N-[4-(3-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 157141438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).