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

C124H124F6N18O12S12 — CID 160944341

About N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-[4-(2,5-difluorophenyl)phenyl]-N-methylacetamide;N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-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]-2-[4-(2,5-difluorophenyl)phenyl]-N-methylacetamide;2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]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]-2-[4-(2,5-difluorophenyl)phenyl]-N-methylacetamide;N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-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]-2-[4-(2,5-difluorophenyl)phenyl]-N-methylacetamide;2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]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 160944341) has the molecular formula C124H124F6N18O12S12 and a molecular weight of 2557.26 g/mol. Its IUPAC name is N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-[4-(2,5-difluorophenyl)phenyl]-N-methylacetamide;N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-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]-2-[4-(2,5-difluorophenyl)phenyl]-N-methylacetamide;2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]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]-2-[4-(2,5-difluorophenyl)phenyl]-N-methylacetamide;N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-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]-2-[4-(2,5-difluorophenyl)phenyl]-N-methylacetamide;2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]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: 160944341
• Molecular Formula: C124H124F6N18O12S12
• Molecular Weight: 2557.26 g/mol
• Exact Mass: 2554.62
• IUPAC Name: N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-[4-(2,5-difluorophenyl)phenyl]-N-methylacetamide;N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-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]-2-[4-(2,5-difluorophenyl)phenyl]-N-methylacetamide;2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]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(=O)(c1sc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)nc1C)C1CC1.C=S(C)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3cc(F)ccc3F)cc2)nc1C.C=S(C)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)nc1C.C=S(N)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3cc(F)ccc3F)cc2)nc1C.C=S(N)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)nc1C.[H]N=S(=O)(c1sc(N(C)C(=O)Cc2ccc(-c3cc(F)ccc3F)cc2)nc1C)C1CC1
• InChI: InChI=1S/C22H21F2N3O2S2.C22H23N3O2S2.C21H20F2N2O2S2.C20H19F2N3O2S2.C20H21N3O2S2.C19H20N4O2S2/c1-13-21(31(25,29)17-8-9-17)30-22(26-13)27(2)20(28)11-14-3-5-15(6-4-14)18-12-16(23)7-10-19(18)24;1-15-21(29(3,27)18-11-12-18)28-22(24-15)25(2)20(26)14-16-7-9-17(10-8-16)19-6-4-5-13-23-19;1-13-20(29(3,4)27)28-21(24-13)25(2)19(26)11-14-5-7-15(8-6-14)17-12-16(22)9-10-18(17)23;1-12-19(29(3,23)27)28-20(24-12)25(2)18(26)10-13-4-6-14(7-5-13)16-11-15(21)8-9-17(16)22;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(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/h3-7,10,12,17,25H,8-9,11H2,1-2H3;4-10,13,18H,3,11-12,14H2,1-2H3;5-10,12H,3,11H2,1-2,4H3;4-9,11H,3,10H2,1-2H3,(H2,23,27);5-12H,3,13H2,1-2,4H3;4-11H,3,12H2,1-2H3,(H2,20,25)
• InChIKey: SUXMEJKQEYAMLI-UHFFFAOYSA-N
• XLogP: 23.08
• TPSA: 416.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 32
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2557.26
LogP ≤ 5	23.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

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]-2-[4-(2,5-difluorophenyl)phenyl]-N-methylacetamide;N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-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]-2-[4-(2,5-difluorophenyl)phenyl]-N-methylacetamide;2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]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]-2-[4-(2,5-difluorophenyl)phenyl]-N-methylacetamide;N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-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]-2-[4-(2,5-difluorophenyl)phenyl]-N-methylacetamide;2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]acetamide;N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide (CID 160944341) is N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-[4-(2,5-difluorophenyl)phenyl]-N-methylacetamide;N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-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]-2-[4-(2,5-difluorophenyl)phenyl]-N-methylacetamide;2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]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]-2-[4-(2,5-difluorophenyl)phenyl]-N-methylacetamide;N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-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]-2-[4-(2,5-difluorophenyl)phenyl]-N-methylacetamide;2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]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]-2-[4-(2,5-difluorophenyl)phenyl]-N-methylacetamide;N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-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]-2-[4-(2,5-difluorophenyl)phenyl]-N-methylacetamide;2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]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(=O)(c1sc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)nc1C)C1CC1.C=S(C)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3cc(F)ccc3F)cc2)nc1C.C=S(C)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)nc1C.C=S(N)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3cc(F)ccc3F)cc2)nc1C.C=S(N)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)nc1C.[H]N=S(=O)(c1sc(N(C)C(=O)Cc2ccc(-c3cc(F)ccc3F)cc2)nc1C)C1CC1.

What is the InChIKey of N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-[4-(2,5-difluorophenyl)phenyl]-N-methylacetamide;N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-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]-2-[4-(2,5-difluorophenyl)phenyl]-N-methylacetamide;2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]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 SUXMEJKQEYAMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O2S2.C22H23N3O2S2.C21H20F2N2O2S2.C20H19F2N3O2S2.C20H21N3O2S2.C19H20N4O2S2/c1-13-21(31(25,29)17-8-9-17)30-22(26-13)27(2)20(28)11-14-3-5-15(6-4-14)18-12-16(23)7-10-19(18)24;1-15-21(29(3,27)18-11-12-18)28-22(24-15)25(2)20(26)14-16-7-9-17(10-8-16)19-6-4-5-13-23-19;1-13-20(29(3,4)27)28-21(24-13)25(2)19(26)11-14-5-7-15(8-6-14)17-12-16(22)9-10-18(17)23;1-12-19(29(3,23)27)28-20(24-12)25(2)18(26)10-13-4-6-14(7-5-13)16-11-15(21)8-9-17(16)22;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(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/h3-7,10,12,17,25H,8-9,11H2,1-2H3;4-10,13,18H,3,11-12,14H2,1-2H3;5-10,12H,3,11H2,1-2,4H3;4-9,11H,3,10H2,1-2H3,(H2,23,27);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]-2-[4-(2,5-difluorophenyl)phenyl]-N-methylacetamide;N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-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]-2-[4-(2,5-difluorophenyl)phenyl]-N-methylacetamide;2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]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]-2-[4-(2,5-difluorophenyl)phenyl]-N-methylacetamide;N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-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]-2-[4-(2,5-difluorophenyl)phenyl]-N-methylacetamide;2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]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 2557.26 g/mol, XLogP of 23.08, 32 rotatable bonds, 3 hydrogen bond donors, and 28 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]-2-[4-(2,5-difluorophenyl)phenyl]-N-methylacetamide;N-[5-(amino-methylidene-oxo-λ6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-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]-2-[4-(2,5-difluorophenyl)phenyl]-N-methylacetamide;2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]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 160944341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).