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

C148H149F6N19O14S14 — CID 163923352

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

bis(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;bis(2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]acetamide);bis(N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide) (PubChem CID 163923352) has the molecular formula C148H149F6N19O14S14 and a molecular weight of 2980.86 g/mol. Its IUPAC name is bis(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;bis(2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]acetamide);bis(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: bis(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;bis(2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]acetamide);bis(N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide)
• PubChem CID: 163923352
• Molecular Formula: C148H149F6N19O14S14
• Molecular Weight: 2980.86 g/mol
• Exact Mass: 2977.75
• IUPAC Name: bis(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;bis(2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]acetamide);bis(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(=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(-c3cc(F)ccc3F)cc2)nc1C.C=S(C)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3ccccn3)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/C22H21F2N3O2S2.2C22H23N3O2S2.2C21H20F2N2O2S2.2C20H21N3O2S2/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;2*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;2*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;2*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;2*4-10,13,18H,3,11-12,14H2,1-2H3;2*5-10,12H,3,11H2,1-2,4H3;2*5-12H,3,13H2,1-2,4H3/t31-;;;;;;/m1....../s1
• InChIKey: RCIQYIICYKYCHZ-ROIZMHBPSA-N
• XLogP: 28.55
• TPSA: 427.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 33
• Rotatable Bonds: 38
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2980.86
LogP ≤ 5	28.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(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;bis(2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]acetamide);bis(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 bis(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;bis(2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]acetamide);bis(N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide) (CID 163923352) is bis(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;bis(2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]acetamide);bis(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 bis(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;bis(2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]acetamide);bis(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 bis(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;bis(2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]acetamide);bis(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(=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(-c3cc(F)ccc3F)cc2)nc1C.C=S(C)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3ccccn3)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 bis(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;bis(2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]acetamide);bis(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 RCIQYIICYKYCHZ-ROIZMHBPSA-N. The full InChI is InChI=1S/C22H21F2N3O2S2.2C22H23N3O2S2.2C21H20F2N2O2S2.2C20H21N3O2S2/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;2*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;2*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;2*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;2*4-10,13,18H,3,11-12,14H2,1-2H3;2*5-10,12H,3,11H2,1-2,4H3;2*5-12H,3,13H2,1-2,4H3/t31-;;;;;;/m1....../s1.

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

bis(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;bis(2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]acetamide);bis(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 2980.86 g/mol, XLogP of 28.55, 38 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for bis(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;bis(2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]acetamide);bis(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 163923352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).