bis(N-[5-[amino(methyl)phosphoryl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide);N-[5-(N-cyano-S-methylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-(cyclopropylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-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

C117H123N24O14P3S9 — CID 159423853

About bis(N-[5-[amino(methyl)phosphoryl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide);N-[5-(N-cyano-S-methylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-(cyclopropylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-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);N-[5-(N-cyano-S-methylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-(cyclopropylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-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 159423853) has the molecular formula C117H123N24O14P3S9 and a molecular weight of 2470.95 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);N-[5-(N-cyano-S-methylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-(cyclopropylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-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);N-[5-(N-cyano-S-methylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-(cyclopropylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-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: 159423853
• Molecular Formula: C117H123N24O14P3S9
• Molecular Weight: 2470.95 g/mol
• Exact Mass: 2468.63
• IUPAC Name: bis(N-[5-[amino(methyl)phosphoryl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide);N-[5-(N-cyano-S-methylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-(cyclopropylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-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: 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.[H]N=S(=O)(c1sc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)nc1C)C1CC1
• InChI: InChI=1S/C21H22N4O2S2.C20H19N5O2S2.C19H20N4O3S2.2C19H21N4O2PS.C19H20N3O3PS/c1-14-20(29(22,27)17-10-11-17)28-21(24-14)25(2)19(26)13-15-6-8-16(9-7-15)18-5-3-4-12-23-18;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;1-13-18(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/h3-9,12,17,22H,10-11,13H2,1-2H3;4-11H,12H2,1-3H3;4-11,20H,12H2,1-3H3;2*4-11H,12H2,1-3H3,(H2,20,25);4-11H,12H2,1-3H3,(H,24,25)
• InChIKey: LQCCKPZRTXUVQW-UHFFFAOYSA-N
• XLogP: 20.24
• TPSA: 540.33 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 32
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2470.95
LogP ≤ 5	20.24
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'phosphor', '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);N-[5-(N-cyano-S-methylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-(cyclopropylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-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);N-[5-(N-cyano-S-methylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-(cyclopropylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-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 159423853) is bis(N-[5-[amino(methyl)phosphoryl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide);N-[5-(N-cyano-S-methylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-(cyclopropylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-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);N-[5-(N-cyano-S-methylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-(cyclopropylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-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);N-[5-(N-cyano-S-methylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-(cyclopropylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-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 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.[H]N=S(=O)(c1sc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)nc1C)C1CC1.

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);N-[5-(N-cyano-S-methylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-(cyclopropylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-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 LQCCKPZRTXUVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S2.C20H19N5O2S2.C19H20N4O3S2.2C19H21N4O2PS.C19H20N3O3PS/c1-14-20(29(22,27)17-10-11-17)28-21(24-14)25(2)19(26)13-15-6-8-16(9-7-15)18-5-3-4-12-23-18;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;1-13-18(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/h3-9,12,17,22H,10-11,13H2,1-2H3;4-11H,12H2,1-3H3;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);N-[5-(N-cyano-S-methylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-(cyclopropylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-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);N-[5-(N-cyano-S-methylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-(cyclopropylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-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 2470.95 g/mol, XLogP of 20.24, 32 rotatable bonds, 5 hydrogen bond donors, and 34 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);N-[5-(N-cyano-S-methylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-(cyclopropylsulfonimidoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-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 159423853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).