N-[5-acetamido-5-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)pentyl]acetamide;N-[2-(4-aminophenyl)-1-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(3-ethylphenyl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-ethylphenyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-methylphenyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide

C114H127F3N22O8S6 — CID 161027059

About N-[5-acetamido-5-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)pentyl]acetamide;N-[2-(4-aminophenyl)-1-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(3-ethylphenyl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-ethylphenyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-methylphenyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide

N-[5-acetamido-5-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)pentyl]acetamide;N-[2-(4-aminophenyl)-1-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(3-ethylphenyl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-ethylphenyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-methylphenyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide (PubChem CID 161027059) has the molecular formula C114H127F3N22O8S6 and a molecular weight of 2182.81 g/mol. Its IUPAC name is N-[5-acetamido-5-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)pentyl]acetamide;N-[2-(4-aminophenyl)-1-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(3-ethylphenyl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-ethylphenyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-methylphenyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: N-[5-acetamido-5-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)pentyl]acetamide;N-[2-(4-aminophenyl)-1-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(3-ethylphenyl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-ethylphenyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-methylphenyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide
• PubChem CID: 161027059
• Molecular Formula: C114H127F3N22O8S6
• Molecular Weight: 2182.81 g/mol
• Exact Mass: 2180.85
• IUPAC Name: N-[5-acetamido-5-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)pentyl]acetamide;N-[2-(4-aminophenyl)-1-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(3-ethylphenyl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-ethylphenyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-methylphenyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide
• SMILES: CC(=O)NC(Cc1ccc(C)cc1)c1nnc(-c2ccncc2)s1.CC(=O)NC(Cc1ccc(N)cc1)c1nnc(-c2cccc(OC(C)(F)F)c2)s1.CC(=O)NCCCCC(NC(C)=O)c1nnc(C2CCCCC2)s1.CCc1ccc(CC(NC(C)=O)c2nnc(-c3ccc(F)cc3)s2)cc1.CCc1ccc(CC(NC(C)=O)c2nnc(-c3ccncc3)s2)cc1.CCc1cccc(CC(NC(C)=O)c2nnc(-c3ccccc3)s2)c1
• InChI: InChI=1S/C20H20F2N4O2S.C20H20FN3OS.C20H21N3OS.C19H20N4OS.C18H18N4OS.C17H28N4O2S/c1-12(27)24-17(10-13-6-8-15(23)9-7-13)19-26-25-18(29-19)14-4-3-5-16(11-14)28-20(2,21)22;1-3-14-4-6-15(7-5-14)12-18(22-13(2)25)20-24-23-19(26-20)16-8-10-17(21)11-9-16;1-3-15-8-7-9-16(12-15)13-18(21-14(2)24)20-23-22-19(25-20)17-10-5-4-6-11-17;1-3-14-4-6-15(7-5-14)12-17(21-13(2)24)19-23-22-18(25-19)16-8-10-20-11-9-16;1-12-3-5-14(6-4-12)11-16(20-13(2)23)18-22-21-17(24-18)15-7-9-19-10-8-15;1-12(22)18-11-7-6-10-15(19-13(2)23)17-21-20-16(24-17)14-8-4-3-5-9-14/h3-9,11,17H,10,23H2,1-2H3,(H,24,27);4-11,18H,3,12H2,1-2H3,(H,22,25);4-12,18H,3,13H2,1-2H3,(H,21,24);4-11,17H,3,12H2,1-2H3,(H,21,24);3-10,16H,11H2,1-2H3,(H,20,23);14-15H,3-11H2,1-2H3,(H,18,22)(H,19,23)
• InChIKey: TZCVYVOJCZRMOW-UHFFFAOYSA-N
• XLogP: 22.69
• TPSA: 419.41 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 38
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2182.81
LogP ≤ 5	22.69
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-acetamido-5-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)pentyl]acetamide;N-[2-(4-aminophenyl)-1-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(3-ethylphenyl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-ethylphenyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-methylphenyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide?

The IUPAC name of N-[5-acetamido-5-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)pentyl]acetamide;N-[2-(4-aminophenyl)-1-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(3-ethylphenyl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-ethylphenyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-methylphenyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide (CID 161027059) is N-[5-acetamido-5-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)pentyl]acetamide;N-[2-(4-aminophenyl)-1-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(3-ethylphenyl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-ethylphenyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-methylphenyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide.

What is the SMILES notation for N-[5-acetamido-5-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)pentyl]acetamide;N-[2-(4-aminophenyl)-1-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(3-ethylphenyl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-ethylphenyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-methylphenyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide?

The canonical SMILES for N-[5-acetamido-5-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)pentyl]acetamide;N-[2-(4-aminophenyl)-1-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(3-ethylphenyl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-ethylphenyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-methylphenyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide is CC(=O)NC(Cc1ccc(C)cc1)c1nnc(-c2ccncc2)s1.CC(=O)NC(Cc1ccc(N)cc1)c1nnc(-c2cccc(OC(C)(F)F)c2)s1.CC(=O)NCCCCC(NC(C)=O)c1nnc(C2CCCCC2)s1.CCc1ccc(CC(NC(C)=O)c2nnc(-c3ccc(F)cc3)s2)cc1.CCc1ccc(CC(NC(C)=O)c2nnc(-c3ccncc3)s2)cc1.CCc1cccc(CC(NC(C)=O)c2nnc(-c3ccccc3)s2)c1.

What is the InChIKey of N-[5-acetamido-5-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)pentyl]acetamide;N-[2-(4-aminophenyl)-1-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(3-ethylphenyl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-ethylphenyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-methylphenyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide?

The InChIKey is TZCVYVOJCZRMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2S.C20H20FN3OS.C20H21N3OS.C19H20N4OS.C18H18N4OS.C17H28N4O2S/c1-12(27)24-17(10-13-6-8-15(23)9-7-13)19-26-25-18(29-19)14-4-3-5-16(11-14)28-20(2,21)22;1-3-14-4-6-15(7-5-14)12-18(22-13(2)25)20-24-23-19(26-20)16-8-10-17(21)11-9-16;1-3-15-8-7-9-16(12-15)13-18(21-14(2)24)20-23-22-19(25-20)17-10-5-4-6-11-17;1-3-14-4-6-15(7-5-14)12-17(21-13(2)24)19-23-22-18(25-19)16-8-10-20-11-9-16;1-12-3-5-14(6-4-12)11-16(20-13(2)23)18-22-21-17(24-18)15-7-9-19-10-8-15;1-12(22)18-11-7-6-10-15(19-13(2)23)17-21-20-16(24-17)14-8-4-3-5-9-14/h3-9,11,17H,10,23H2,1-2H3,(H,24,27);4-11,18H,3,12H2,1-2H3,(H,22,25);4-12,18H,3,13H2,1-2H3,(H,21,24);4-11,17H,3,12H2,1-2H3,(H,21,24);3-10,16H,11H2,1-2H3,(H,20,23);14-15H,3-11H2,1-2H3,(H,18,22)(H,19,23).

What are the key properties of N-[5-acetamido-5-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)pentyl]acetamide;N-[2-(4-aminophenyl)-1-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(3-ethylphenyl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-ethylphenyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-methylphenyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide?

N-[5-acetamido-5-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)pentyl]acetamide;N-[2-(4-aminophenyl)-1-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(3-ethylphenyl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-ethylphenyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-methylphenyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide has a molecular weight of 2182.81 g/mol, XLogP of 22.69, 38 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-acetamido-5-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)pentyl]acetamide;N-[2-(4-aminophenyl)-1-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(4-ethylphenyl)-1-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide;N-[2-(3-ethylphenyl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-ethylphenyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;N-[2-(4-methylphenyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 161027059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).