1-[4-[5-[4-(7-methoxyheptoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[5-[4-(6-methoxyhexoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[2-(4-pentoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone;1-[4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]phenyl]ethanone;1-[4-[5-(4-piperidin-1-ylphenyl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone

C113H121N11O12S4 — CID 159551415

About 1-[4-[5-[4-(7-methoxyheptoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[5-[4-(6-methoxyhexoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[2-(4-pentoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone;1-[4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]phenyl]ethanone;1-[4-[5-(4-piperidin-1-ylphenyl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone

1-[4-[5-[4-(7-methoxyheptoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[5-[4-(6-methoxyhexoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[2-(4-pentoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone;1-[4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]phenyl]ethanone;1-[4-[5-(4-piperidin-1-ylphenyl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone (PubChem CID 159551415) has the molecular formula C113H121N11O12S4 and a molecular weight of 1953.54 g/mol. Its IUPAC name is 1-[4-[5-[4-(7-methoxyheptoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[5-[4-(6-methoxyhexoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[2-(4-pentoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone;1-[4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]phenyl]ethanone;1-[4-[5-(4-piperidin-1-ylphenyl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[5-[4-(7-methoxyheptoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[5-[4-(6-methoxyhexoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[2-(4-pentoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone;1-[4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]phenyl]ethanone;1-[4-[5-(4-piperidin-1-ylphenyl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone
• PubChem CID: 159551415
• Molecular Formula: C113H121N11O12S4
• Molecular Weight: 1953.54 g/mol
• Exact Mass: 1951.81
• IUPAC Name: 1-[4-[5-[4-(7-methoxyheptoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[5-[4-(6-methoxyhexoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[2-(4-pentoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone;1-[4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]phenyl]ethanone;1-[4-[5-(4-piperidin-1-ylphenyl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone
• SMILES: CC(=O)c1ccc(-c2nnc(-c3ccc(N4CCCCC4)cc3)s2)cc1.CCCCCOc1ccc(-c2cc(-c3ccc(C(C)=O)cc3)no2)cc1.CCCCCOc1ccc(-c2nn3cc(-c4ccc(C(C)=O)cc4)nc3s2)cc1.COCCCCCCCOc1ccc(-c2nnc(-c3ccc(C(C)=O)cc3)s2)cc1.COCCCCCCOc1ccc(-c2nnc(-c3ccc(C(C)=O)cc3)s2)cc1
• InChI: InChI=1S/C24H28N2O3S.C23H23N3O2S.C23H26N2O3S.C22H23NO3.C21H21N3OS/c1-18(27)19-8-10-20(11-9-19)23-25-26-24(30-23)21-12-14-22(15-13-21)29-17-7-5-3-4-6-16-28-2;1-3-4-5-14-28-20-12-10-19(11-13-20)22-25-26-15-21(24-23(26)29-22)18-8-6-17(7-9-18)16(2)27;1-17(26)18-7-9-19(10-8-18)22-24-25-23(29-22)20-11-13-21(14-12-20)28-16-6-4-3-5-15-27-2;1-3-4-5-14-25-20-12-10-19(11-13-20)22-15-21(23-26-22)18-8-6-17(7-9-18)16(2)24;1-15(25)16-5-7-17(8-6-16)20-22-23-21(26-20)18-9-11-19(12-10-18)24-13-3-2-4-14-24/h8-15H,3-7,16-17H2,1-2H3;6-13,15H,3-5,14H2,1-2H3;7-14H,3-6,15-16H2,1-2H3;6-13,15H,3-5,14H2,1-2H3;5-12H,2-4,13-14H2,1H3
• InChIKey: MFLBJECPGNBYOM-UHFFFAOYSA-N
• XLogP: 28.45
• TPSA: 277.53 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 43
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1953.54
LogP ≤ 5	28.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[4-(7-methoxyheptoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[5-[4-(6-methoxyhexoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[2-(4-pentoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone;1-[4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]phenyl]ethanone;1-[4-[5-(4-piperidin-1-ylphenyl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone?

The IUPAC name of 1-[4-[5-[4-(7-methoxyheptoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[5-[4-(6-methoxyhexoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[2-(4-pentoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone;1-[4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]phenyl]ethanone;1-[4-[5-(4-piperidin-1-ylphenyl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone (CID 159551415) is 1-[4-[5-[4-(7-methoxyheptoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[5-[4-(6-methoxyhexoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[2-(4-pentoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone;1-[4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]phenyl]ethanone;1-[4-[5-(4-piperidin-1-ylphenyl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone.

What is the SMILES notation for 1-[4-[5-[4-(7-methoxyheptoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[5-[4-(6-methoxyhexoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[2-(4-pentoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone;1-[4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]phenyl]ethanone;1-[4-[5-(4-piperidin-1-ylphenyl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone?

The canonical SMILES for 1-[4-[5-[4-(7-methoxyheptoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[5-[4-(6-methoxyhexoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[2-(4-pentoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone;1-[4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]phenyl]ethanone;1-[4-[5-(4-piperidin-1-ylphenyl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone is CC(=O)c1ccc(-c2nnc(-c3ccc(N4CCCCC4)cc3)s2)cc1.CCCCCOc1ccc(-c2cc(-c3ccc(C(C)=O)cc3)no2)cc1.CCCCCOc1ccc(-c2nn3cc(-c4ccc(C(C)=O)cc4)nc3s2)cc1.COCCCCCCCOc1ccc(-c2nnc(-c3ccc(C(C)=O)cc3)s2)cc1.COCCCCCCOc1ccc(-c2nnc(-c3ccc(C(C)=O)cc3)s2)cc1.

What is the InChIKey of 1-[4-[5-[4-(7-methoxyheptoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[5-[4-(6-methoxyhexoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[2-(4-pentoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone;1-[4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]phenyl]ethanone;1-[4-[5-(4-piperidin-1-ylphenyl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone?

The InChIKey is MFLBJECPGNBYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S.C23H23N3O2S.C23H26N2O3S.C22H23NO3.C21H21N3OS/c1-18(27)19-8-10-20(11-9-19)23-25-26-24(30-23)21-12-14-22(15-13-21)29-17-7-5-3-4-6-16-28-2;1-3-4-5-14-28-20-12-10-19(11-13-20)22-25-26-15-21(24-23(26)29-22)18-8-6-17(7-9-18)16(2)27;1-17(26)18-7-9-19(10-8-18)22-24-25-23(29-22)20-11-13-21(14-12-20)28-16-6-4-3-5-15-27-2;1-3-4-5-14-25-20-12-10-19(11-13-20)22-15-21(23-26-22)18-8-6-17(7-9-18)16(2)24;1-15(25)16-5-7-17(8-6-16)20-22-23-21(26-20)18-9-11-19(12-10-18)24-13-3-2-4-14-24/h8-15H,3-7,16-17H2,1-2H3;6-13,15H,3-5,14H2,1-2H3;7-14H,3-6,15-16H2,1-2H3;6-13,15H,3-5,14H2,1-2H3;5-12H,2-4,13-14H2,1H3.

What are the key properties of 1-[4-[5-[4-(7-methoxyheptoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[5-[4-(6-methoxyhexoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[2-(4-pentoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone;1-[4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]phenyl]ethanone;1-[4-[5-(4-piperidin-1-ylphenyl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone?

1-[4-[5-[4-(7-methoxyheptoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[5-[4-(6-methoxyhexoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[2-(4-pentoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone;1-[4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]phenyl]ethanone;1-[4-[5-(4-piperidin-1-ylphenyl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone has a molecular weight of 1953.54 g/mol, XLogP of 28.45, 43 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[5-[4-(7-methoxyheptoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[5-[4-(6-methoxyhexoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[2-(4-pentoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone;1-[4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]phenyl]ethanone;1-[4-[5-(4-piperidin-1-ylphenyl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone is sourced from PubChem (CID 159551415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).