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

C88H72N14O5S4 — CID 159040043

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

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[2-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide;2-(4-pyridin-4-ylphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 159040043) has the molecular formula C88H72N14O5S4 and a molecular weight of 1533.90 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[2-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide;2-(4-pyridin-4-ylphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[2-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide;2-(4-pyridin-4-ylphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
• PubChem CID: 159040043
• Molecular Formula: C88H72N14O5S4
• Molecular Weight: 1533.90 g/mol
• Exact Mass: 1532.47
• IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[2-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide;2-(4-pyridin-4-ylphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
• SMILES: COc1ccc2nc(NC(=O)Cc3ccc(-c4ccnc(C)c4)cc3C)sc2c1.Cc1cc(-c2ccc(CC(=O)Nc3nc(-c4ccccc4)cs3)cn2)ccn1.O=C(Cc1ccc(-c2ccncc2)cc1)Nc1nc(-c2ccccc2)cs1.O=C(Cc1ccc(-c2ccncc2)cc1)Nc1nc(-c2ccccn2)cs1
• InChI: InChI=1S/C23H21N3O2S.C22H18N4OS.C22H17N3OS.C21H16N4OS/c1-14-10-17(18-8-9-24-15(2)11-18)5-4-16(14)12-22(27)26-23-25-20-7-6-19(28-3)13-21(20)29-23;1-15-11-18(9-10-23-15)19-8-7-16(13-24-19)12-21(27)26-22-25-20(14-28-22)17-5-3-2-4-6-17;26-21(25-22-24-20(15-27-22)19-4-2-1-3-5-19)14-16-6-8-17(9-7-16)18-10-12-23-13-11-18;26-20(25-21-24-19(14-27-21)18-3-1-2-10-23-18)13-15-4-6-16(7-5-15)17-8-11-22-12-9-17/h4-11,13H,12H2,1-3H3,(H,25,26,27);2-11,13-14H,12H2,1H3,(H,25,26,27);1-13,15H,14H2,(H,24,25,26);1-12,14H,13H2,(H,24,25,26)
• InChIKey: JVYBDHOWTBHOMZ-UHFFFAOYSA-N
• XLogP: 19.42
• TPSA: 254.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1533.90
LogP ≤ 5	19.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

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

The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[2-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide;2-(4-pyridin-4-ylphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide (CID 159040043) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[2-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide;2-(4-pyridin-4-ylphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide.

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

The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[2-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide;2-(4-pyridin-4-ylphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide is COc1ccc2nc(NC(=O)Cc3ccc(-c4ccnc(C)c4)cc3C)sc2c1.Cc1cc(-c2ccc(CC(=O)Nc3nc(-c4ccccc4)cs3)cn2)ccn1.O=C(Cc1ccc(-c2ccncc2)cc1)Nc1nc(-c2ccccc2)cs1.O=C(Cc1ccc(-c2ccncc2)cc1)Nc1nc(-c2ccccn2)cs1.

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

The InChIKey is JVYBDHOWTBHOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S.C22H18N4OS.C22H17N3OS.C21H16N4OS/c1-14-10-17(18-8-9-24-15(2)11-18)5-4-16(14)12-22(27)26-23-25-20-7-6-19(28-3)13-21(20)29-23;1-15-11-18(9-10-23-15)19-8-7-16(13-24-19)12-21(27)26-22-25-20(14-28-22)17-5-3-2-4-6-17;26-21(25-22-24-20(15-27-22)19-4-2-1-3-5-19)14-16-6-8-17(9-7-16)18-10-12-23-13-11-18;26-20(25-21-24-19(14-27-21)18-3-1-2-10-23-18)13-15-4-6-16(7-5-15)17-8-11-22-12-9-17/h4-11,13H,12H2,1-3H3,(H,25,26,27);2-11,13-14H,12H2,1H3,(H,25,26,27);1-13,15H,14H2,(H,24,25,26);1-12,14H,13H2,(H,24,25,26).

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

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[2-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide;2-(4-pyridin-4-ylphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 1533.90 g/mol, XLogP of 19.42, 20 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[2-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide;2-(4-pyridin-4-ylphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 159040043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).