N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methylpyrimidin-4-yl)phenyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide

C85H73N15O8S4 — CID 158476607

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methylpyrimidin-4-yl)phenyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methylpyrimidin-4-yl)phenyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide (PubChem CID 158476607) has the molecular formula C85H73N15O8S4 and a molecular weight of 1560.88 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methylpyrimidin-4-yl)phenyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide.

Molecular Properties

• Compound Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methylpyrimidin-4-yl)phenyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide
• PubChem CID: 158476607
• Molecular Formula: C85H73N15O8S4
• Molecular Weight: 1560.88 g/mol
• Exact Mass: 1559.46
• IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methylpyrimidin-4-yl)phenyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide
• SMILES: COc1ccc2nc(NC(=O)Cc3ccc(-c4ccnc(C)c4)c(C)c3)sc2c1.COc1ccc2nc(NC(=O)Cc3ccc(-c4ccnc(C)c4)nc3)sc2c1.COc1ccc2nc(NC(=O)Cc3ccc(-c4ccnc(C)n4)cc3)sc2c1.COc1ccc2nc(NC(=O)Cc3ccc(-c4ccncc4)nc3)sc2c1
• InChI: InChI=1S/C23H21N3O2S.2C21H18N4O2S.C20H16N4O2S/c1-14-10-16(4-6-19(14)17-8-9-24-15(2)11-17)12-22(27)26-23-25-20-7-5-18(28-3)13-21(20)29-23;1-13-9-15(7-8-22-13)17-5-3-14(12-23-17)10-20(26)25-21-24-18-6-4-16(27-2)11-19(18)28-21;1-13-22-10-9-17(23-13)15-5-3-14(4-6-15)11-20(26)25-21-24-18-8-7-16(27-2)12-19(18)28-21;1-26-15-3-5-17-18(11-15)27-20(23-17)24-19(25)10-13-2-4-16(22-12-13)14-6-8-21-9-7-14/h4-11,13H,12H2,1-3H3,(H,25,26,27);3-9,11-12H,10H2,1-2H3,(H,24,25,26);3-10,12H,11H2,1-2H3,(H,24,25,26);2-9,11-12H,10H2,1H3,(H,23,24,25)
• InChIKey: HHAAVPBBEDDFRU-UHFFFAOYSA-N
• XLogP: 17.61
• TPSA: 295.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1560.88
LogP ≤ 5	17.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methylpyrimidin-4-yl)phenyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide?

The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methylpyrimidin-4-yl)phenyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide (CID 158476607) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methylpyrimidin-4-yl)phenyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide.

What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methylpyrimidin-4-yl)phenyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide?

The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methylpyrimidin-4-yl)phenyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide is COc1ccc2nc(NC(=O)Cc3ccc(-c4ccnc(C)c4)c(C)c3)sc2c1.COc1ccc2nc(NC(=O)Cc3ccc(-c4ccnc(C)c4)nc3)sc2c1.COc1ccc2nc(NC(=O)Cc3ccc(-c4ccnc(C)n4)cc3)sc2c1.COc1ccc2nc(NC(=O)Cc3ccc(-c4ccncc4)nc3)sc2c1.

What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methylpyrimidin-4-yl)phenyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide?

The InChIKey is HHAAVPBBEDDFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S.2C21H18N4O2S.C20H16N4O2S/c1-14-10-16(4-6-19(14)17-8-9-24-15(2)11-17)12-22(27)26-23-25-20-7-5-18(28-3)13-21(20)29-23;1-13-9-15(7-8-22-13)17-5-3-14(12-23-17)10-20(26)25-21-24-18-6-4-16(27-2)11-19(18)28-21;1-13-22-10-9-17(23-13)15-5-3-14(4-6-15)11-20(26)25-21-24-18-8-7-16(27-2)12-19(18)28-21;1-26-15-3-5-17-18(11-15)27-20(23-17)24-19(25)10-13-2-4-16(22-12-13)14-6-8-21-9-7-14/h4-11,13H,12H2,1-3H3,(H,25,26,27);3-9,11-12H,10H2,1-2H3,(H,24,25,26);3-10,12H,11H2,1-2H3,(H,24,25,26);2-9,11-12H,10H2,1H3,(H,23,24,25).

What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methylpyrimidin-4-yl)phenyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide?

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methylpyrimidin-4-yl)phenyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide has a molecular weight of 1560.88 g/mol, XLogP of 17.61, 20 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methylpyrimidin-4-yl)phenyl]acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 158476607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).