N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-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-[[(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-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide

C137H147N23O12S12 — CID 158841422

About N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-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-[[(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-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-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;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-[[(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-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide (PubChem CID 158841422) has the molecular formula C137H147N23O12S12 and a molecular weight of 2692.64 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;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-[[(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-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-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;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-[[(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-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide
• PubChem CID: 158841422
• Molecular Formula: C137H147N23O12S12
• Molecular Weight: 2692.64 g/mol
• Exact Mass: 2689.82
• IUPAC Name: N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-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-[[(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-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-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.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.Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(C)=NC(=O)OC(C)(C)C.[H]N=S(=O)(NCc1ccc(CC)cc1)c1sc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)nc1C
• InChI: InChI=1S/C27H29N5O2S2.C27H28N4O2S2.C24H28N4O3S2.C20H21N3O2S2.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;1-16-21(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(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;1-14-19(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;7-14H,15H2,1-6H3;5-12H,3,13H2,1-2,4H3;5-12H,3,13H2,1-2,4H3;4-11H,3,12H2,1-2H3,(H2,20,25)
• InChIKey: IYHGKOQEEPWIJN-UHFFFAOYSA-N
• XLogP: 26.43
• TPSA: 457.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 38
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2692.64
LogP ≤ 5	26.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

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;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-[[(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-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-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;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-[[(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-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide (CID 158841422) is N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-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-[[(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-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-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;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-[[(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-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-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;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-[[(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-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-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.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.Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(C)=NC(=O)OC(C)(C)C.[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;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-[[(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-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide?

The InChIKey is IYHGKOQEEPWIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2S2.C27H28N4O2S2.C24H28N4O3S2.C20H21N3O2S2.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;1-16-21(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(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;1-14-19(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;7-14H,15H2,1-6H3;5-12H,3,13H2,1-2,4H3;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;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-[[(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-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-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;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-[[(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-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide has a molecular weight of 2692.64 g/mol, XLogP of 26.43, 38 rotatable bonds, 4 hydrogen bond donors, and 31 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;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-[[(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-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide is sourced from PubChem (CID 158841422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).