2-[4-(2-ethyl-4-pyridinyl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-1,3-thiazol-2-yl)acetamide

C68H59N9O6S3 — CID 158077383

About 2-[4-(2-ethyl-4-pyridinyl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-1,3-thiazol-2-yl)acetamide

2-[4-(2-ethyl-4-pyridinyl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 158077383) has the molecular formula C68H59N9O6S3 and a molecular weight of 1194.48 g/mol. Its IUPAC name is 2-[4-(2-ethyl-4-pyridinyl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[4-(2-ethyl-4-pyridinyl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
• PubChem CID: 158077383
• Molecular Formula: C68H59N9O6S3
• Molecular Weight: 1194.48 g/mol
• Exact Mass: 1193.38
• IUPAC Name: 2-[4-(2-ethyl-4-pyridinyl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
• SMILES: CCc1cc(-c2ccc(CC(=O)Nc3nc4ccc(OC)cc4s3)cc2)ccn1.COc1ccc2nc(NC(=O)Cc3ccc(-c4ccnc(OC)c4)cc3)sc2c1.Cc1cc(-c2ccc(CC(=O)Nc3ncc(-c4ccccc4)s3)cc2)ccn1
• InChI: InChI=1S/C23H21N3O2S.C23H19N3OS.C22H19N3O3S/c1-3-18-13-17(10-11-24-18)16-6-4-15(5-7-16)12-22(27)26-23-25-20-9-8-19(28-2)14-21(20)29-23;1-16-13-20(11-12-24-16)18-9-7-17(8-10-18)14-22(27)26-23-25-15-21(28-23)19-5-3-2-4-6-19;1-27-17-7-8-18-19(13-17)29-22(24-18)25-20(26)11-14-3-5-15(6-4-14)16-9-10-23-21(12-16)28-2/h4-11,13-14H,3,12H2,1-2H3,(H,25,26,27);2-13,15H,14H2,1H3,(H,25,26,27);3-10,12-13H,11H2,1-2H3,(H,24,25,26)
• InChIKey: FMNOVYSCPTURAM-UHFFFAOYSA-N
• XLogP: 15.03
• TPSA: 192.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1194.48
LogP ≤ 5	15.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethyl-4-pyridinyl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[4-(2-ethyl-4-pyridinyl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-1,3-thiazol-2-yl)acetamide (CID 158077383) is 2-[4-(2-ethyl-4-pyridinyl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[4-(2-ethyl-4-pyridinyl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[4-(2-ethyl-4-pyridinyl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-1,3-thiazol-2-yl)acetamide is CCc1cc(-c2ccc(CC(=O)Nc3nc4ccc(OC)cc4s3)cc2)ccn1.COc1ccc2nc(NC(=O)Cc3ccc(-c4ccnc(OC)c4)cc3)sc2c1.Cc1cc(-c2ccc(CC(=O)Nc3ncc(-c4ccccc4)s3)cc2)ccn1.

What is the InChIKey of 2-[4-(2-ethyl-4-pyridinyl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-1,3-thiazol-2-yl)acetamide?

The InChIKey is FMNOVYSCPTURAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S.C23H19N3OS.C22H19N3O3S/c1-3-18-13-17(10-11-24-18)16-6-4-15(5-7-16)12-22(27)26-23-25-20-9-8-19(28-2)14-21(20)29-23;1-16-13-20(11-12-24-16)18-9-7-17(8-10-18)14-22(27)26-23-25-15-21(28-23)19-5-3-2-4-6-19;1-27-17-7-8-18-19(13-17)29-22(24-18)25-20(26)11-14-3-5-15(6-4-14)16-9-10-23-21(12-16)28-2/h4-11,13-14H,3,12H2,1-2H3,(H,25,26,27);2-13,15H,14H2,1H3,(H,25,26,27);3-10,12-13H,11H2,1-2H3,(H,24,25,26).

What are the key properties of 2-[4-(2-ethyl-4-pyridinyl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-1,3-thiazol-2-yl)acetamide?

2-[4-(2-ethyl-4-pyridinyl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 1194.48 g/mol, XLogP of 15.03, 17 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2-ethyl-4-pyridinyl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 158077383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).