2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide

C126H147F3N32O7S6 — CID 158771310

About 2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide

2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide (PubChem CID 158771310) has the molecular formula C126H147F3N32O7S6 and a molecular weight of 2471.17 g/mol. Its IUPAC name is 2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide
• PubChem CID: 158771310
• Molecular Formula: C126H147F3N32O7S6
• Molecular Weight: 2471.17 g/mol
• Exact Mass: 2469.04
• IUPAC Name: 2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide
• SMILES: CCc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cn3)n2CC)cc1.CCc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cn3)n2CC)cc1.CCc1ccc(NC(=O)CSc2nnc(-c3ccc(N(C)C)cn3)n2CC)cc1.CCc1ccc(NC(=O)CSc2nnc(-c3ccc(N(CC)CC)cn3)n2CC)cc1.CCc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cn3)n2CC)cc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CCC2)nnc1-c1ncc(F)cc1F
• InChI: InChI=1S/C23H25F2N5OS.C23H30N6OS.C21H26N6OS.C20H23N5O2S.C20H23N5OS.C19H20FN5OS/c1-4-30-20(19-18(25)12-16(24)13-26-19)28-29-22(30)32-23(10-5-11-23)21(31)27-17-8-6-15(7-9-17)14(2)3;1-5-17-9-11-18(12-10-17)25-21(30)16-31-23-27-26-22(29(23)8-4)20-14-13-19(15-24-20)28(6-2)7-3;1-5-15-7-9-16(10-8-15)23-19(28)14-29-21-25-24-20(27(21)6-2)18-12-11-17(13-22-18)26(3)4;1-4-14-6-8-15(9-7-14)22-18(26)13-28-20-24-23-19(25(20)5-2)17-11-10-16(27-3)12-21-17;1-4-15-7-9-16(10-8-15)22-18(26)13-27-20-24-23-19(25(20)5-2)17-11-6-14(3)12-21-17;1-3-13-5-8-15(9-6-13)22-17(26)12-27-19-24-23-18(25(19)4-2)16-10-7-14(20)11-21-16/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,27,31);9-15H,5-8,16H2,1-4H3,(H,25,30);7-13H,5-6,14H2,1-4H3,(H,23,28);6-12H,4-5,13H2,1-3H3,(H,22,26);6-12H,4-5,13H2,1-3H3,(H,22,26);5-11H,3-4,12H2,1-2H3,(H,22,26)
• InChIKey: IPXBGVCTCZWJPG-UHFFFAOYSA-N
• XLogP: 25.05
• TPSA: 451.91 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 47
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2471.17
LogP ≤ 5	25.05
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide?

The IUPAC name of 2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide (CID 158771310) is 2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide.

What is the SMILES notation for 2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide?

The canonical SMILES for 2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cn3)n2CC)cc1.CCc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cn3)n2CC)cc1.CCc1ccc(NC(=O)CSc2nnc(-c3ccc(N(C)C)cn3)n2CC)cc1.CCc1ccc(NC(=O)CSc2nnc(-c3ccc(N(CC)CC)cn3)n2CC)cc1.CCc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cn3)n2CC)cc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CCC2)nnc1-c1ncc(F)cc1F.

What is the InChIKey of 2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide?

The InChIKey is IPXBGVCTCZWJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5OS.C23H30N6OS.C21H26N6OS.C20H23N5O2S.C20H23N5OS.C19H20FN5OS/c1-4-30-20(19-18(25)12-16(24)13-26-19)28-29-22(30)32-23(10-5-11-23)21(31)27-17-8-6-15(7-9-17)14(2)3;1-5-17-9-11-18(12-10-17)25-21(30)16-31-23-27-26-22(29(23)8-4)20-14-13-19(15-24-20)28(6-2)7-3;1-5-15-7-9-16(10-8-15)23-19(28)14-29-21-25-24-20(27(21)6-2)18-12-11-17(13-22-18)26(3)4;1-4-14-6-8-15(9-7-14)22-18(26)13-28-20-24-23-19(25(20)5-2)17-11-10-16(27-3)12-21-17;1-4-15-7-9-16(10-8-15)22-18(26)13-27-20-24-23-19(25(20)5-2)17-11-6-14(3)12-21-17;1-3-13-5-8-15(9-6-13)22-17(26)12-27-19-24-23-18(25(19)4-2)16-10-7-14(20)11-21-16/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,27,31);9-15H,5-8,16H2,1-4H3,(H,25,30);7-13H,5-6,14H2,1-4H3,(H,23,28);6-12H,4-5,13H2,1-3H3,(H,22,26);6-12H,4-5,13H2,1-3H3,(H,22,26);5-11H,3-4,12H2,1-2H3,(H,22,26).

What are the key properties of 2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide?

2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide has a molecular weight of 2471.17 g/mol, XLogP of 25.05, 47 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 158771310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).