N-[[4-[2-acetamido-2-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]phenyl]methyl]acetamide;N-[1-[5-(4-cyanophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethynylphenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide;N-[1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)hexyl]acetamide

C121H119F10N21O10S4 — CID 159990251

About N-[[4-[2-acetamido-2-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]phenyl]methyl]acetamide;N-[1-[5-(4-cyanophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethynylphenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide;N-[1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)hexyl]acetamide

N-[[4-[2-acetamido-2-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]phenyl]methyl]acetamide;N-[1-[5-(4-cyanophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethynylphenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide;N-[1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)hexyl]acetamide (PubChem CID 159990251) has the molecular formula C121H119F10N21O10S4 and a molecular weight of 2345.67 g/mol. Its IUPAC name is N-[[4-[2-acetamido-2-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]phenyl]methyl]acetamide;N-[1-[5-(4-cyanophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethynylphenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide;N-[1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)hexyl]acetamide.

Molecular Properties

• Compound Name: N-[[4-[2-acetamido-2-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]phenyl]methyl]acetamide;N-[1-[5-(4-cyanophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethynylphenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide;N-[1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)hexyl]acetamide
• PubChem CID: 159990251
• Molecular Formula: C121H119F10N21O10S4
• Molecular Weight: 2345.67 g/mol
• Exact Mass: 2343.82
• IUPAC Name: N-[[4-[2-acetamido-2-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]phenyl]methyl]acetamide;N-[1-[5-(4-cyanophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethynylphenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide;N-[1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)hexyl]acetamide
• SMILES: C#Cc1ccc(CC(NC(C)=O)c2nnc(-c3ccccc3)o2)cc1.CC(=O)NCc1ccc(CC(NC(C)=O)c2nnc(-c3cccc(OC(F)(F)F)c3)s2)cc1.CCCCCC(NC(C)=O)c1nnc(-c2ccncc2)o1.CCc1ccc(CC(NC(C)=O)c2nnc(-c3ccc(C#N)cc3)s2)cc1.CCc1ccc(CC(NC(C)=O)c2nnc(-c3ccc(C)c(C(F)(F)F)c3)s2)cc1.CCc1ccc(CC(NC(C)=O)c2nnc(-c3ccc(F)c(C(F)(F)F)c3)s2)cc1
• InChI: InChI=1S/C22H21F3N4O3S.C22H22F3N3OS.C21H19F4N3OS.C21H20N4OS.C20H17N3O2.C15H20N4O2/c1-13(30)26-12-16-8-6-15(7-9-16)10-19(27-14(2)31)21-29-28-20(33-21)17-4-3-5-18(11-17)32-22(23,24)25;1-4-15-6-8-16(9-7-15)11-19(26-14(3)29)21-28-27-20(30-21)17-10-5-13(2)18(12-17)22(23,24)25;1-3-13-4-6-14(7-5-13)10-18(26-12(2)29)20-28-27-19(30-20)15-8-9-17(22)16(11-15)21(23,24)25;1-3-15-4-6-16(7-5-15)12-19(23-14(2)26)21-25-24-20(27-21)18-10-8-17(13-22)9-11-18;1-3-15-9-11-16(12-10-15)13-18(21-14(2)24)20-23-22-19(25-20)17-7-5-4-6-8-17;1-3-4-5-6-13(17-11(2)20)15-19-18-14(21-15)12-7-9-16-10-8-12/h3-9,11,19H,10,12H2,1-2H3,(H,26,30)(H,27,31);5-10,12,19H,4,11H2,1-3H3,(H,26,29);4-9,11,18H,3,10H2,1-2H3,(H,26,29);4-11,19H,3,12H2,1-2H3,(H,23,26);1,4-12,18H,13H2,2H3,(H,21,24);7-10,13H,3-6H2,1-2H3,(H,17,20)
• InChIKey: OGVZVWDWGLZULF-UHFFFAOYSA-N
• XLogP: 25.11
• TPSA: 430.57 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 38
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2345.67
LogP ≤ 5	25.11
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-acetamido-2-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]phenyl]methyl]acetamide;N-[1-[5-(4-cyanophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethynylphenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide;N-[1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)hexyl]acetamide?

The IUPAC name of N-[[4-[2-acetamido-2-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]phenyl]methyl]acetamide;N-[1-[5-(4-cyanophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethynylphenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide;N-[1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)hexyl]acetamide (CID 159990251) is N-[[4-[2-acetamido-2-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]phenyl]methyl]acetamide;N-[1-[5-(4-cyanophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethynylphenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide;N-[1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)hexyl]acetamide.

What is the SMILES notation for N-[[4-[2-acetamido-2-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]phenyl]methyl]acetamide;N-[1-[5-(4-cyanophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethynylphenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide;N-[1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)hexyl]acetamide?

The canonical SMILES for N-[[4-[2-acetamido-2-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]phenyl]methyl]acetamide;N-[1-[5-(4-cyanophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethynylphenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide;N-[1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)hexyl]acetamide is C#Cc1ccc(CC(NC(C)=O)c2nnc(-c3ccccc3)o2)cc1.CC(=O)NCc1ccc(CC(NC(C)=O)c2nnc(-c3cccc(OC(F)(F)F)c3)s2)cc1.CCCCCC(NC(C)=O)c1nnc(-c2ccncc2)o1.CCc1ccc(CC(NC(C)=O)c2nnc(-c3ccc(C#N)cc3)s2)cc1.CCc1ccc(CC(NC(C)=O)c2nnc(-c3ccc(C)c(C(F)(F)F)c3)s2)cc1.CCc1ccc(CC(NC(C)=O)c2nnc(-c3ccc(F)c(C(F)(F)F)c3)s2)cc1.

What is the InChIKey of N-[[4-[2-acetamido-2-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]phenyl]methyl]acetamide;N-[1-[5-(4-cyanophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethynylphenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide;N-[1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)hexyl]acetamide?

The InChIKey is OGVZVWDWGLZULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O3S.C22H22F3N3OS.C21H19F4N3OS.C21H20N4OS.C20H17N3O2.C15H20N4O2/c1-13(30)26-12-16-8-6-15(7-9-16)10-19(27-14(2)31)21-29-28-20(33-21)17-4-3-5-18(11-17)32-22(23,24)25;1-4-15-6-8-16(9-7-15)11-19(26-14(3)29)21-28-27-20(30-21)17-10-5-13(2)18(12-17)22(23,24)25;1-3-13-4-6-14(7-5-13)10-18(26-12(2)29)20-28-27-19(30-20)15-8-9-17(22)16(11-15)21(23,24)25;1-3-15-4-6-16(7-5-15)12-19(23-14(2)26)21-25-24-20(27-21)18-10-8-17(13-22)9-11-18;1-3-15-9-11-16(12-10-15)13-18(21-14(2)24)20-23-22-19(25-20)17-7-5-4-6-8-17;1-3-4-5-6-13(17-11(2)20)15-19-18-14(21-15)12-7-9-16-10-8-12/h3-9,11,19H,10,12H2,1-2H3,(H,26,30)(H,27,31);5-10,12,19H,4,11H2,1-3H3,(H,26,29);4-9,11,18H,3,10H2,1-2H3,(H,26,29);4-11,19H,3,12H2,1-2H3,(H,23,26);1,4-12,18H,13H2,2H3,(H,21,24);7-10,13H,3-6H2,1-2H3,(H,17,20).

What are the key properties of N-[[4-[2-acetamido-2-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]phenyl]methyl]acetamide;N-[1-[5-(4-cyanophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethynylphenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide;N-[1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)hexyl]acetamide?

N-[[4-[2-acetamido-2-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]phenyl]methyl]acetamide;N-[1-[5-(4-cyanophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethynylphenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide;N-[1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)hexyl]acetamide has a molecular weight of 2345.67 g/mol, XLogP of 25.11, 38 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[2-acetamido-2-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]phenyl]methyl]acetamide;N-[1-[5-(4-cyanophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethynylphenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide;N-[1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)hexyl]acetamide is sourced from PubChem (CID 159990251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).