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

C85H85F4N11O8S8 — CID 162075976

About 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-(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 162075976) has the molecular formula C85H85F4N11O8S8 and a molecular weight of 1721.21 g/mol. Its IUPAC name is 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-(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: 162075976
• Molecular Formula: C85H85F4N11O8S8
• Molecular Weight: 1721.21 g/mol
• Exact Mass: 1719.43
• IUPAC Name: 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.[H]N=[S@@](=O)(c1sc(N(C)C(=O)Cc2ccc(-c3cc(F)ccc3F)cc2)nc1C)C1CC1
• InChI: InChI=1S/C22H21F2N3O2S2.C22H23N3O2S2.C21H20F2N2O2S2.C20H21N3O2S2/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;1-14-19(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/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;5-12H,3,13H2,1-2,4H3/t31-;;;/m0.../s1
• InChIKey: ZBSACQUKRKCMOF-WSRKNMNMSA-N
• XLogP: 16.86
• TPSA: 250.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 22
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1721.21
LogP ≤ 5	16.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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-(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 162075976) is 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-(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-(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.[H]N=[S@@](=O)(c1sc(N(C)C(=O)Cc2ccc(-c3cc(F)ccc3F)cc2)nc1C)C1CC1.

What is the InChIKey of 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 ZBSACQUKRKCMOF-WSRKNMNMSA-N. The full InChI is InChI=1S/C22H21F2N3O2S2.C22H23N3O2S2.C21H20F2N2O2S2.C20H21N3O2S2/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;1-14-19(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/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;5-12H,3,13H2,1-2,4H3/t31-;;;/m0.../s1.

What are the key properties of 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-(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 1721.21 g/mol, XLogP of 16.86, 22 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 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 162075976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).