N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide;N-[5-[[(4-ethylphenyl)methylamino]sulfonimidoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-[(4-ethylphenyl)methylsulfinamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-methyl-N-[4-methyl-5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide

C113H117F2N19O10S10 — CID 158288328

About N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide;N-[5-[[(4-ethylphenyl)methylamino]sulfonimidoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-[(4-ethylphenyl)methylsulfinamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-methyl-N-[4-methyl-5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide

N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide;N-[5-[[(4-ethylphenyl)methylamino]sulfonimidoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-[(4-ethylphenyl)methylsulfinamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-methyl-N-[4-methyl-5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide (PubChem CID 158288328) has the molecular formula C113H117F2N19O10S10 and a molecular weight of 2259.97 g/mol. Its IUPAC name is N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide;N-[5-[[(4-ethylphenyl)methylamino]sulfonimidoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-[(4-ethylphenyl)methylsulfinamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-methyl-N-[4-methyl-5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide;N-[5-[[(4-ethylphenyl)methylamino]sulfonimidoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-[(4-ethylphenyl)methylsulfinamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-methyl-N-[4-methyl-5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide
• PubChem CID: 158288328
• Molecular Formula: C113H117F2N19O10S10
• Molecular Weight: 2259.97 g/mol
• Exact Mass: 2257.64
• IUPAC Name: N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide;N-[5-[[(4-ethylphenyl)methylamino]sulfonimidoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-[(4-ethylphenyl)methylsulfinamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-methyl-N-[4-methyl-5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide
• SMILES: C=S(C)c1sc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)nc1C.C=S(N)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)nc1C.CCc1ccc(CNS(=O)c2sc(N(C)C(=O)Cc3ccc(-c4ccccn4)cc3)nc2C)cc1.CNS(=O)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3cc(F)ccc3F)cc2)nc1C.[H]N=S(=O)(NCc1ccc(CC)cc1)c1sc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)nc1C
• InChI: InChI=1S/C27H29N5O2S2.C27H28N4O2S2.C20H19F2N3O3S2.C20H21N3OS2.C19H20N4O2S2/c1-4-20-8-10-22(11-9-20)18-30-36(28,34)26-19(2)31-27(35-26)32(3)25(33)17-21-12-14-23(15-13-21)24-7-5-6-16-29-24;1-4-20-8-10-22(11-9-20)18-29-35(33)26-19(2)30-27(34-26)31(3)25(32)17-21-12-14-23(15-13-21)24-7-5-6-16-28-24;1-12-19(30(27,28)23-2)29-20(24-12)25(3)18(26)10-13-4-6-14(7-5-13)16-11-15(21)8-9-17(16)22;1-14-19(26(3)4)25-20(22-14)23(2)18(24)13-15-8-10-16(11-9-15)17-7-5-6-12-21-17;1-13-18(27(3,20)25)26-19(22-13)23(2)17(24)12-14-7-9-15(10-8-14)16-6-4-5-11-21-16/h5-16H,4,17-18H2,1-3H3,(H2,28,30,34);5-16,29H,4,17-18H2,1-3H3;4-9,11,23H,10H2,1-3H3;5-12H,3,13H2,1-2,4H3;4-11H,3,12H2,1-2H3,(H2,20,25)
• InChIKey: GLBBOAJAIRMGRU-UHFFFAOYSA-N
• XLogP: 21.07
• TPSA: 388.87 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 34
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2259.97
LogP ≤ 5	21.07
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide;N-[5-[[(4-ethylphenyl)methylamino]sulfonimidoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-[(4-ethylphenyl)methylsulfinamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-methyl-N-[4-methyl-5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide?

The IUPAC name of N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide;N-[5-[[(4-ethylphenyl)methylamino]sulfonimidoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-[(4-ethylphenyl)methylsulfinamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-methyl-N-[4-methyl-5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide (CID 158288328) is N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide;N-[5-[[(4-ethylphenyl)methylamino]sulfonimidoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-[(4-ethylphenyl)methylsulfinamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-methyl-N-[4-methyl-5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide.

What is the SMILES notation for N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide;N-[5-[[(4-ethylphenyl)methylamino]sulfonimidoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-[(4-ethylphenyl)methylsulfinamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-methyl-N-[4-methyl-5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide?

The canonical SMILES for N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide;N-[5-[[(4-ethylphenyl)methylamino]sulfonimidoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-[(4-ethylphenyl)methylsulfinamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-methyl-N-[4-methyl-5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide is C=S(C)c1sc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)nc1C.C=S(N)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)nc1C.CCc1ccc(CNS(=O)c2sc(N(C)C(=O)Cc3ccc(-c4ccccn4)cc3)nc2C)cc1.CNS(=O)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3cc(F)ccc3F)cc2)nc1C.[H]N=S(=O)(NCc1ccc(CC)cc1)c1sc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)nc1C.

What is the InChIKey of N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide;N-[5-[[(4-ethylphenyl)methylamino]sulfonimidoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-[(4-ethylphenyl)methylsulfinamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-methyl-N-[4-methyl-5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide?

The InChIKey is GLBBOAJAIRMGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2S2.C27H28N4O2S2.C20H19F2N3O3S2.C20H21N3OS2.C19H20N4O2S2/c1-4-20-8-10-22(11-9-20)18-30-36(28,34)26-19(2)31-27(35-26)32(3)25(33)17-21-12-14-23(15-13-21)24-7-5-6-16-29-24;1-4-20-8-10-22(11-9-20)18-29-35(33)26-19(2)30-27(34-26)31(3)25(32)17-21-12-14-23(15-13-21)24-7-5-6-16-28-24;1-12-19(30(27,28)23-2)29-20(24-12)25(3)18(26)10-13-4-6-14(7-5-13)16-11-15(21)8-9-17(16)22;1-14-19(26(3)4)25-20(22-14)23(2)18(24)13-15-8-10-16(11-9-15)17-7-5-6-12-21-17;1-13-18(27(3,20)25)26-19(22-13)23(2)17(24)12-14-7-9-15(10-8-14)16-6-4-5-11-21-16/h5-16H,4,17-18H2,1-3H3,(H2,28,30,34);5-16,29H,4,17-18H2,1-3H3;4-9,11,23H,10H2,1-3H3;5-12H,3,13H2,1-2,4H3;4-11H,3,12H2,1-2H3,(H2,20,25).

What are the key properties of N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide;N-[5-[[(4-ethylphenyl)methylamino]sulfonimidoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-[(4-ethylphenyl)methylsulfinamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-methyl-N-[4-methyl-5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide?

N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide;N-[5-[[(4-ethylphenyl)methylamino]sulfonimidoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-[(4-ethylphenyl)methylsulfinamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-methyl-N-[4-methyl-5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide has a molecular weight of 2259.97 g/mol, XLogP of 21.07, 34 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide;N-[5-[[(4-ethylphenyl)methylamino]sulfonimidoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-[(4-ethylphenyl)methylsulfinamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-methyl-N-[4-methyl-5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide is sourced from PubChem (CID 158288328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).