bis(N-[5-[amino(methyl)phosphoryl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide);tert-butyl N-[methyl-[4-methyl-2-[methyl-[2-(4-pyridin-2-ylphenyl)acetyl]amino]-1,3-thiazol-5-yl]-λ4-sulfanylidene]carbamate;N-[5-(N-cyano-S-methylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide;methyl-[4-methyl-2-[methyl-[2-(4-pyridin-2-ylphenyl)acetyl]amino]-1,3-thiazol-5-yl]phosphinic acid;N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide

C140H150N27O17P3S11 — CID 158654006

About bis(N-[5-[amino(methyl)phosphoryl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide);tert-butyl N-[methyl-[4-methyl-2-[methyl-[2-(4-pyridin-2-ylphenyl)acetyl]amino]-1,3-thiazol-5-yl]-λ4-sulfanylidene]carbamate;N-[5-(N-cyano-S-methylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide;methyl-[4-methyl-2-[methyl-[2-(4-pyridin-2-ylphenyl)acetyl]amino]-1,3-thiazol-5-yl]phosphinic acid;N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide

bis(N-[5-[amino(methyl)phosphoryl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide);tert-butyl N-[methyl-[4-methyl-2-[methyl-[2-(4-pyridin-2-ylphenyl)acetyl]amino]-1,3-thiazol-5-yl]-λ4-sulfanylidene]carbamate;N-[5-(N-cyano-S-methylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide;methyl-[4-methyl-2-[methyl-[2-(4-pyridin-2-ylphenyl)acetyl]amino]-1,3-thiazol-5-yl]phosphinic acid;N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide (PubChem CID 158654006) has the molecular formula C140H150N27O17P3S11 and a molecular weight of 2928.57 g/mol. Its IUPAC name is bis(N-[5-[amino(methyl)phosphoryl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide);tert-butyl N-[methyl-[4-methyl-2-[methyl-[2-(4-pyridin-2-ylphenyl)acetyl]amino]-1,3-thiazol-5-yl]-λ4-sulfanylidene]carbamate;N-[5-(N-cyano-S-methylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide;methyl-[4-methyl-2-[methyl-[2-(4-pyridin-2-ylphenyl)acetyl]amino]-1,3-thiazol-5-yl]phosphinic acid;N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: bis(N-[5-[amino(methyl)phosphoryl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide);tert-butyl N-[methyl-[4-methyl-2-[methyl-[2-(4-pyridin-2-ylphenyl)acetyl]amino]-1,3-thiazol-5-yl]-λ4-sulfanylidene]carbamate;N-[5-(N-cyano-S-methylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide;methyl-[4-methyl-2-[methyl-[2-(4-pyridin-2-ylphenyl)acetyl]amino]-1,3-thiazol-5-yl]phosphinic acid;N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide
• PubChem CID: 158654006
• Molecular Formula: C140H150N27O17P3S11
• Molecular Weight: 2928.57 g/mol
• Exact Mass: 2925.78
• IUPAC Name: bis(N-[5-[amino(methyl)phosphoryl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide);tert-butyl N-[methyl-[4-methyl-2-[methyl-[2-(4-pyridin-2-ylphenyl)acetyl]amino]-1,3-thiazol-5-yl]-λ4-sulfanylidene]carbamate;N-[5-(N-cyano-S-methylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide;methyl-[4-methyl-2-[methyl-[2-(4-pyridin-2-ylphenyl)acetyl]amino]-1,3-thiazol-5-yl]phosphinic acid;N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide
• SMILES: C=S(C)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)nc1C.CNS(=O)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)nc1C.Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1P(C)(=O)O.Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1P(C)(N)=O.Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1P(C)(N)=O.Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(C)(=O)=NC#N.Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(C)=NC(=O)OC(C)(C)C
• InChI: InChI=1S/C24H28N4O3S2.C20H19N5O2S2.C20H21N3O2S2.C19H20N4O3S2.2C19H21N4O2PS.C19H20N3O3PS/c1-16-21(33(6)27-23(30)31-24(2,3)4)32-22(26-16)28(5)20(29)15-17-10-12-18(13-11-17)19-9-7-8-14-25-19;1-14-19(29(3,27)23-13-21)28-20(24-14)25(2)18(26)12-15-7-9-16(10-8-15)17-6-4-5-11-22-17;1-14-19(27(3,4)25)26-20(22-14)23(2)18(24)13-15-8-10-16(11-9-15)17-7-5-6-12-21-17;1-13-18(28(25,26)20-2)27-19(22-13)23(3)17(24)12-14-7-9-15(10-8-14)16-6-4-5-11-21-16;2*1-13-18(26(3,20)25)27-19(22-13)23(2)17(24)12-14-7-9-15(10-8-14)16-6-4-5-11-21-16;1-13-18(26(3,24)25)27-19(21-13)22(2)17(23)12-14-7-9-15(10-8-14)16-6-4-5-11-20-16/h7-14H,15H2,1-6H3;4-11H,12H2,1-3H3;5-12H,3,13H2,1-2,4H3;4-11,20H,12H2,1-3H3;2*4-11H,12H2,1-3H3,(H2,20,25);4-11H,12H2,1-3H3,(H,24,25)
• InChIKey: IBXCOGCPLZFTCT-UHFFFAOYSA-N
• XLogP: 24.82
• TPSA: 601.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 39
• Rotatable Bonds: 36
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2928.57
LogP ≤ 5	24.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(N-[5-[amino(methyl)phosphoryl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide);tert-butyl N-[methyl-[4-methyl-2-[methyl-[2-(4-pyridin-2-ylphenyl)acetyl]amino]-1,3-thiazol-5-yl]-λ4-sulfanylidene]carbamate;N-[5-(N-cyano-S-methylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide;methyl-[4-methyl-2-[methyl-[2-(4-pyridin-2-ylphenyl)acetyl]amino]-1,3-thiazol-5-yl]phosphinic acid;N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide?

The IUPAC name of bis(N-[5-[amino(methyl)phosphoryl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide);tert-butyl N-[methyl-[4-methyl-2-[methyl-[2-(4-pyridin-2-ylphenyl)acetyl]amino]-1,3-thiazol-5-yl]-λ4-sulfanylidene]carbamate;N-[5-(N-cyano-S-methylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide;methyl-[4-methyl-2-[methyl-[2-(4-pyridin-2-ylphenyl)acetyl]amino]-1,3-thiazol-5-yl]phosphinic acid;N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide (CID 158654006) is bis(N-[5-[amino(methyl)phosphoryl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide);tert-butyl N-[methyl-[4-methyl-2-[methyl-[2-(4-pyridin-2-ylphenyl)acetyl]amino]-1,3-thiazol-5-yl]-λ4-sulfanylidene]carbamate;N-[5-(N-cyano-S-methylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide;methyl-[4-methyl-2-[methyl-[2-(4-pyridin-2-ylphenyl)acetyl]amino]-1,3-thiazol-5-yl]phosphinic acid;N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide.

What is the SMILES notation for bis(N-[5-[amino(methyl)phosphoryl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide);tert-butyl N-[methyl-[4-methyl-2-[methyl-[2-(4-pyridin-2-ylphenyl)acetyl]amino]-1,3-thiazol-5-yl]-λ4-sulfanylidene]carbamate;N-[5-(N-cyano-S-methylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide;methyl-[4-methyl-2-[methyl-[2-(4-pyridin-2-ylphenyl)acetyl]amino]-1,3-thiazol-5-yl]phosphinic acid;N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide?

The canonical SMILES for bis(N-[5-[amino(methyl)phosphoryl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide);tert-butyl N-[methyl-[4-methyl-2-[methyl-[2-(4-pyridin-2-ylphenyl)acetyl]amino]-1,3-thiazol-5-yl]-λ4-sulfanylidene]carbamate;N-[5-(N-cyano-S-methylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide;methyl-[4-methyl-2-[methyl-[2-(4-pyridin-2-ylphenyl)acetyl]amino]-1,3-thiazol-5-yl]phosphinic acid;N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide is C=S(C)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)nc1C.CNS(=O)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)nc1C.Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1P(C)(=O)O.Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1P(C)(N)=O.Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1P(C)(N)=O.Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(C)(=O)=NC#N.Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(C)=NC(=O)OC(C)(C)C.

What is the InChIKey of bis(N-[5-[amino(methyl)phosphoryl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide);tert-butyl N-[methyl-[4-methyl-2-[methyl-[2-(4-pyridin-2-ylphenyl)acetyl]amino]-1,3-thiazol-5-yl]-λ4-sulfanylidene]carbamate;N-[5-(N-cyano-S-methylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide;methyl-[4-methyl-2-[methyl-[2-(4-pyridin-2-ylphenyl)acetyl]amino]-1,3-thiazol-5-yl]phosphinic acid;N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide?

The InChIKey is IBXCOGCPLZFTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S2.C20H19N5O2S2.C20H21N3O2S2.C19H20N4O3S2.2C19H21N4O2PS.C19H20N3O3PS/c1-16-21(33(6)27-23(30)31-24(2,3)4)32-22(26-16)28(5)20(29)15-17-10-12-18(13-11-17)19-9-7-8-14-25-19;1-14-19(29(3,27)23-13-21)28-20(24-14)25(2)18(26)12-15-7-9-16(10-8-15)17-6-4-5-11-22-17;1-14-19(27(3,4)25)26-20(22-14)23(2)18(24)13-15-8-10-16(11-9-15)17-7-5-6-12-21-17;1-13-18(28(25,26)20-2)27-19(22-13)23(3)17(24)12-14-7-9-15(10-8-14)16-6-4-5-11-21-16;2*1-13-18(26(3,20)25)27-19(22-13)23(2)17(24)12-14-7-9-15(10-8-14)16-6-4-5-11-21-16;1-13-18(26(3,24)25)27-19(21-13)22(2)17(23)12-14-7-9-15(10-8-14)16-6-4-5-11-20-16/h7-14H,15H2,1-6H3;4-11H,12H2,1-3H3;5-12H,3,13H2,1-2,4H3;4-11,20H,12H2,1-3H3;2*4-11H,12H2,1-3H3,(H2,20,25);4-11H,12H2,1-3H3,(H,24,25).

What are the key properties of bis(N-[5-[amino(methyl)phosphoryl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide);tert-butyl N-[methyl-[4-methyl-2-[methyl-[2-(4-pyridin-2-ylphenyl)acetyl]amino]-1,3-thiazol-5-yl]-λ4-sulfanylidene]carbamate;N-[5-(N-cyano-S-methylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide;methyl-[4-methyl-2-[methyl-[2-(4-pyridin-2-ylphenyl)acetyl]amino]-1,3-thiazol-5-yl]phosphinic acid;N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide?

bis(N-[5-[amino(methyl)phosphoryl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide);tert-butyl N-[methyl-[4-methyl-2-[methyl-[2-(4-pyridin-2-ylphenyl)acetyl]amino]-1,3-thiazol-5-yl]-λ4-sulfanylidene]carbamate;N-[5-(N-cyano-S-methylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide;methyl-[4-methyl-2-[methyl-[2-(4-pyridin-2-ylphenyl)acetyl]amino]-1,3-thiazol-5-yl]phosphinic acid;N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide has a molecular weight of 2928.57 g/mol, XLogP of 24.82, 36 rotatable bonds, 4 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-[5-[amino(methyl)phosphoryl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide);tert-butyl N-[methyl-[4-methyl-2-[methyl-[2-(4-pyridin-2-ylphenyl)acetyl]amino]-1,3-thiazol-5-yl]-λ4-sulfanylidene]carbamate;N-[5-(N-cyano-S-methylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide;methyl-[4-methyl-2-[methyl-[2-(4-pyridin-2-ylphenyl)acetyl]amino]-1,3-thiazol-5-yl]phosphinic acid;N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide is sourced from PubChem (CID 158654006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).