2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-(6-phenyl-3-pyridinyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-phenylphenyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;methane

C114H117F2N19O12S5 — CID 157316967

About 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-(6-phenyl-3-pyridinyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-phenylphenyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;methane

2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-(6-phenyl-3-pyridinyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-phenylphenyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;methane (PubChem CID 157316967) has the molecular formula C114H117F2N19O12S5 and a molecular weight of 2143.64 g/mol. Its IUPAC name is 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-(6-phenyl-3-pyridinyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-phenylphenyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;methane.

Molecular Properties

• Compound Name: 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-(6-phenyl-3-pyridinyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-phenylphenyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;methane
• PubChem CID: 157316967
• Molecular Formula: C114H117F2N19O12S5
• Molecular Weight: 2143.64 g/mol
• Exact Mass: 2141.77
• IUPAC Name: 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-(6-phenyl-3-pyridinyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-phenylphenyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;methane
• SMILES: C.C=S1(=O)CCN(c2ccc(CC(=O)Nc3ccc(-c4cccc(F)c4)nc3)cn2)CC1.C=S1CCN(c2ccc(CC(=O)Nc3ccc(-c4cccc(F)c4)nc3)cn2)CC1.O=C(Cc1ccc(N2CCS(=O)(=O)CC2)cc1)Nc1ccc(-c2ccccc2)nc1.O=C(Cc1ccc(N2CCS(=O)(=O)CC2)nc1)Nc1ccc(-c2ccccc2)cc1.O=C(Cc1ccc(N2CCS(=O)(=O)CC2)nc1)Nc1ccc(-c2cnccn2)cc1
• InChI: InChI=1S/C23H23FN4O2S.C23H23FN4OS.2C23H23N3O3S.C21H21N5O3S.CH4/c1-31(30)11-9-28(10-12-31)22-8-5-17(15-26-22)13-23(29)27-20-6-7-21(25-16-20)18-3-2-4-19(24)14-18;1-30-11-9-28(10-12-30)22-8-5-17(15-26-22)13-23(29)27-20-6-7-21(25-16-20)18-3-2-4-19(24)14-18;27-23(25-21-9-7-20(8-10-21)19-4-2-1-3-5-19)16-18-6-11-22(24-17-18)26-12-14-30(28,29)15-13-26;27-23(25-20-8-11-22(24-17-20)19-4-2-1-3-5-19)16-18-6-9-21(10-7-18)26-12-14-30(28,29)15-13-26;27-21(25-18-4-2-17(3-5-18)19-15-22-7-8-23-19)13-16-1-6-20(24-14-16)26-9-11-30(28,29)12-10-26;/h2-8,14-16H,1,9-13H2,(H,27,29);2-8,14-16H,1,9-13H2,(H,27,29);2*1-11,17H,12-16H2,(H,25,27);1-8,14-15H,9-13H2,(H,25,27);1H4
• InChIKey: BDSCDUWWDSBYMS-UHFFFAOYSA-N
• XLogP: 15.90
• TPSA: 397.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2143.64
LogP ≤ 5	15.90
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-(6-phenyl-3-pyridinyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-phenylphenyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;methane?

The IUPAC name of 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-(6-phenyl-3-pyridinyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-phenylphenyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;methane (CID 157316967) is 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-(6-phenyl-3-pyridinyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-phenylphenyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;methane.

What is the SMILES notation for 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-(6-phenyl-3-pyridinyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-phenylphenyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;methane?

The canonical SMILES for 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-(6-phenyl-3-pyridinyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-phenylphenyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;methane is C.C=S1(=O)CCN(c2ccc(CC(=O)Nc3ccc(-c4cccc(F)c4)nc3)cn2)CC1.C=S1CCN(c2ccc(CC(=O)Nc3ccc(-c4cccc(F)c4)nc3)cn2)CC1.O=C(Cc1ccc(N2CCS(=O)(=O)CC2)cc1)Nc1ccc(-c2ccccc2)nc1.O=C(Cc1ccc(N2CCS(=O)(=O)CC2)nc1)Nc1ccc(-c2ccccc2)cc1.O=C(Cc1ccc(N2CCS(=O)(=O)CC2)nc1)Nc1ccc(-c2cnccn2)cc1.

What is the InChIKey of 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-(6-phenyl-3-pyridinyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-phenylphenyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;methane?

The InChIKey is BDSCDUWWDSBYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2S.C23H23FN4OS.2C23H23N3O3S.C21H21N5O3S.CH4/c1-31(30)11-9-28(10-12-31)22-8-5-17(15-26-22)13-23(29)27-20-6-7-21(25-16-20)18-3-2-4-19(24)14-18;1-30-11-9-28(10-12-30)22-8-5-17(15-26-22)13-23(29)27-20-6-7-21(25-16-20)18-3-2-4-19(24)14-18;27-23(25-21-9-7-20(8-10-21)19-4-2-1-3-5-19)16-18-6-11-22(24-17-18)26-12-14-30(28,29)15-13-26;27-23(25-20-8-11-22(24-17-20)19-4-2-1-3-5-19)16-18-6-9-21(10-7-18)26-12-14-30(28,29)15-13-26;27-21(25-18-4-2-17(3-5-18)19-15-22-7-8-23-19)13-16-1-6-20(24-14-16)26-9-11-30(28,29)12-10-26;/h2-8,14-16H,1,9-13H2,(H,27,29);2-8,14-16H,1,9-13H2,(H,27,29);2*1-11,17H,12-16H2,(H,25,27);1-8,14-15H,9-13H2,(H,25,27);1H4.

What are the key properties of 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-(6-phenyl-3-pyridinyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-phenylphenyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;methane?

2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-(6-phenyl-3-pyridinyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-phenylphenyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;methane has a molecular weight of 2143.64 g/mol, XLogP of 15.90, 25 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-(6-phenyl-3-pyridinyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-phenylphenyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;methane is sourced from PubChem (CID 157316967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).