N-[[4-[2-acetamido-2-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]phenyl]methyl]acetamide;N-[2-(4-ethylphenyl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[1-[5-(3-ethynylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylethyl]acetamide;N-[2-(4-methylphenyl)-1-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-methylphenyl)-1-[5-[2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide

C100H95F6N17O8S5 — CID 158304133

About N-[[4-[2-acetamido-2-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]phenyl]methyl]acetamide;N-[2-(4-ethylphenyl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[1-[5-(3-ethynylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylethyl]acetamide;N-[2-(4-methylphenyl)-1-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-methylphenyl)-1-[5-[2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide

N-[[4-[2-acetamido-2-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]phenyl]methyl]acetamide;N-[2-(4-ethylphenyl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[1-[5-(3-ethynylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylethyl]acetamide;N-[2-(4-methylphenyl)-1-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-methylphenyl)-1-[5-[2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide (PubChem CID 158304133) has the molecular formula C100H95F6N17O8S5 and a molecular weight of 1937.29 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-[2-(4-ethylphenyl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[1-[5-(3-ethynylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylethyl]acetamide;N-[2-(4-methylphenyl)-1-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-methylphenyl)-1-[5-[2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]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-[2-(4-ethylphenyl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[1-[5-(3-ethynylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylethyl]acetamide;N-[2-(4-methylphenyl)-1-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-methylphenyl)-1-[5-[2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide
• PubChem CID: 158304133
• Molecular Formula: C100H95F6N17O8S5
• Molecular Weight: 1937.29 g/mol
• Exact Mass: 1935.61
• IUPAC Name: N-[[4-[2-acetamido-2-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]phenyl]methyl]acetamide;N-[2-(4-ethylphenyl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[1-[5-(3-ethynylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylethyl]acetamide;N-[2-(4-methylphenyl)-1-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-methylphenyl)-1-[5-[2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide
• SMILES: C#Cc1cccc(-c2nnc(C(Cc3ccccc3)NC(C)=O)s2)c1.CC(=O)NC(Cc1ccc(C)cc1)c1nnc(-c2ccccc2OC(F)(F)F)s1.CC(=O)NC(Cc1ccc(C)cc1)c1nnc(-c2cccnc2)s1.CC(=O)NCc1ccc(CC(NC(C)=O)c2nnc(-c3cccc(OC(F)(F)F)c3)s2)cc1.CCc1ccc(CC(NC(C)=O)c2nnc(-c3ccccc3)s2)cc1
• InChI: InChI=1S/C22H21F3N4O3S.C20H18F3N3O2S.C20H17N3OS.C20H21N3OS.C18H18N4OS/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;1-12-7-9-14(10-8-12)11-16(24-13(2)27)19-26-25-18(29-19)15-5-3-4-6-17(15)28-20(21,22)23;1-3-15-10-7-11-17(12-15)19-22-23-20(25-19)18(21-14(2)24)13-16-8-5-4-6-9-16;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;1-12-5-7-14(8-6-12)10-16(20-13(2)23)18-22-21-17(24-18)15-4-3-9-19-11-15/h3-9,11,19H,10,12H2,1-2H3,(H,26,30)(H,27,31);3-10,16H,11H2,1-2H3,(H,24,27);1,4-12,18H,13H2,2H3,(H,21,24);4-12,18H,3,13H2,1-2H3,(H,21,24);3-9,11,16H,10H2,1-2H3,(H,20,23)
• InChIKey: GMWGJIARPMVWMZ-UHFFFAOYSA-N
• XLogP: 20.11
• TPSA: 334.85 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 30
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1937.29
LogP ≤ 5	20.11
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'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-[2-(4-ethylphenyl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[1-[5-(3-ethynylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylethyl]acetamide;N-[2-(4-methylphenyl)-1-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-methylphenyl)-1-[5-[2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]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-[2-(4-ethylphenyl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[1-[5-(3-ethynylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylethyl]acetamide;N-[2-(4-methylphenyl)-1-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-methylphenyl)-1-[5-[2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide (CID 158304133) is N-[[4-[2-acetamido-2-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]phenyl]methyl]acetamide;N-[2-(4-ethylphenyl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[1-[5-(3-ethynylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylethyl]acetamide;N-[2-(4-methylphenyl)-1-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-methylphenyl)-1-[5-[2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]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-[2-(4-ethylphenyl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[1-[5-(3-ethynylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylethyl]acetamide;N-[2-(4-methylphenyl)-1-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-methylphenyl)-1-[5-[2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]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-[2-(4-ethylphenyl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[1-[5-(3-ethynylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylethyl]acetamide;N-[2-(4-methylphenyl)-1-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-methylphenyl)-1-[5-[2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide is C#Cc1cccc(-c2nnc(C(Cc3ccccc3)NC(C)=O)s2)c1.CC(=O)NC(Cc1ccc(C)cc1)c1nnc(-c2ccccc2OC(F)(F)F)s1.CC(=O)NC(Cc1ccc(C)cc1)c1nnc(-c2cccnc2)s1.CC(=O)NCc1ccc(CC(NC(C)=O)c2nnc(-c3cccc(OC(F)(F)F)c3)s2)cc1.CCc1ccc(CC(NC(C)=O)c2nnc(-c3ccccc3)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-[2-(4-ethylphenyl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[1-[5-(3-ethynylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylethyl]acetamide;N-[2-(4-methylphenyl)-1-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-methylphenyl)-1-[5-[2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide?

The InChIKey is GMWGJIARPMVWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O3S.C20H18F3N3O2S.C20H17N3OS.C20H21N3OS.C18H18N4OS/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;1-12-7-9-14(10-8-12)11-16(24-13(2)27)19-26-25-18(29-19)15-5-3-4-6-17(15)28-20(21,22)23;1-3-15-10-7-11-17(12-15)19-22-23-20(25-19)18(21-14(2)24)13-16-8-5-4-6-9-16;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;1-12-5-7-14(8-6-12)10-16(20-13(2)23)18-22-21-17(24-18)15-4-3-9-19-11-15/h3-9,11,19H,10,12H2,1-2H3,(H,26,30)(H,27,31);3-10,16H,11H2,1-2H3,(H,24,27);1,4-12,18H,13H2,2H3,(H,21,24);4-12,18H,3,13H2,1-2H3,(H,21,24);3-9,11,16H,10H2,1-2H3,(H,20,23).

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-[2-(4-ethylphenyl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[1-[5-(3-ethynylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylethyl]acetamide;N-[2-(4-methylphenyl)-1-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-methylphenyl)-1-[5-[2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide?

N-[[4-[2-acetamido-2-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]phenyl]methyl]acetamide;N-[2-(4-ethylphenyl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[1-[5-(3-ethynylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylethyl]acetamide;N-[2-(4-methylphenyl)-1-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-methylphenyl)-1-[5-[2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide has a molecular weight of 1937.29 g/mol, XLogP of 20.11, 30 rotatable bonds, 6 hydrogen bond donors, and 24 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-[2-(4-ethylphenyl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[1-[5-(3-ethynylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylethyl]acetamide;N-[2-(4-methylphenyl)-1-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-methylphenyl)-1-[5-[2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 158304133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).