N-[5-(8-indol-1-yl-5-oxooctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;methanol;N-[5-(5-oxo-8-piperidin-1-yloctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;N-[5-(5-oxo-8-pyrrolidin-1-yloctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;N-[5-[4-[5-[2-oxo-3-(4H-triazol-5-yl)propyl]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide

C95H124N20O11S5 — CID 161211206

About N-[5-(8-indol-1-yl-5-oxooctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;methanol;N-[5-(5-oxo-8-piperidin-1-yloctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;N-[5-(5-oxo-8-pyrrolidin-1-yloctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;N-[5-[4-[5-[2-oxo-3-(4H-triazol-5-yl)propyl]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide

N-[5-(8-indol-1-yl-5-oxooctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;methanol;N-[5-(5-oxo-8-piperidin-1-yloctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;N-[5-(5-oxo-8-pyrrolidin-1-yloctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;N-[5-[4-[5-[2-oxo-3-(4H-triazol-5-yl)propyl]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide (PubChem CID 161211206) has the molecular formula C95H124N20O11S5 and a molecular weight of 1882.50 g/mol. Its IUPAC name is N-[5-(8-indol-1-yl-5-oxooctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;methanol;N-[5-(5-oxo-8-piperidin-1-yloctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;N-[5-(5-oxo-8-pyrrolidin-1-yloctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;N-[5-[4-[5-[2-oxo-3-(4H-triazol-5-yl)propyl]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[5-(8-indol-1-yl-5-oxooctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;methanol;N-[5-(5-oxo-8-piperidin-1-yloctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;N-[5-(5-oxo-8-pyrrolidin-1-yloctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;N-[5-[4-[5-[2-oxo-3-(4H-triazol-5-yl)propyl]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
• PubChem CID: 161211206
• Molecular Formula: C95H124N20O11S5
• Molecular Weight: 1882.50 g/mol
• Exact Mass: 1880.84
• IUPAC Name: N-[5-(8-indol-1-yl-5-oxooctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;methanol;N-[5-(5-oxo-8-piperidin-1-yloctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;N-[5-(5-oxo-8-pyrrolidin-1-yloctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;N-[5-[4-[5-[2-oxo-3-(4H-triazol-5-yl)propyl]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
• SMILES: CO.CO.CO.O=C(CC1=NN=NC1)Cc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)s1.O=C(CCCCc1nnc(NC(=O)Cc2ccccc2)s1)CCCN1CCCC1.O=C(CCCCc1nnc(NC(=O)Cc2ccccc2)s1)CCCN1CCCCC1.O=C(CCCCc1nnc(NC(=O)Cc2ccccc2)s1)CCCn1ccc2ccccc21
• InChI: InChI=1S/C26H28N4O2S.C23H32N4O2S.C22H30N4O2S.C21H22N8O2S2.3CH4O/c31-22(13-8-17-30-18-16-21-11-4-6-14-23(21)30)12-5-7-15-25-28-29-26(33-25)27-24(32)19-20-9-2-1-3-10-20;28-20(13-9-17-27-15-7-2-8-16-27)12-5-6-14-22-25-26-23(30-22)24-21(29)18-19-10-3-1-4-11-19;27-19(12-8-16-26-14-6-7-15-26)11-4-5-13-21-24-25-22(29-21)23-20(28)17-18-9-2-1-3-10-18;30-16(11-15-13-22-29-24-15)12-20-27-25-18(32-20)8-4-5-9-19-26-28-21(33-19)23-17(31)10-14-6-2-1-3-7-14;3*1-2/h1-4,6,9-11,14,16,18H,5,7-8,12-13,15,17,19H2,(H,27,29,32);1,3-4,10-11H,2,5-9,12-18H2,(H,24,26,29);1-3,9-10H,4-8,11-17H2,(H,23,25,28);1-3,6-7H,4-5,8-13H2,(H,23,28,31);3*2H,1H3
• InChIKey: UWGHNVRQTDNMAH-UHFFFAOYSA-N
• XLogP: 15.87
• TPSA: 422.76 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 48
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1882.50
LogP ≤ 5	15.87
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-(8-indol-1-yl-5-oxooctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;methanol;N-[5-(5-oxo-8-piperidin-1-yloctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;N-[5-(5-oxo-8-pyrrolidin-1-yloctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;N-[5-[4-[5-[2-oxo-3-(4H-triazol-5-yl)propyl]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?

The IUPAC name of N-[5-(8-indol-1-yl-5-oxooctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;methanol;N-[5-(5-oxo-8-piperidin-1-yloctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;N-[5-(5-oxo-8-pyrrolidin-1-yloctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;N-[5-[4-[5-[2-oxo-3-(4H-triazol-5-yl)propyl]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide (CID 161211206) is N-[5-(8-indol-1-yl-5-oxooctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;methanol;N-[5-(5-oxo-8-piperidin-1-yloctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;N-[5-(5-oxo-8-pyrrolidin-1-yloctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;N-[5-[4-[5-[2-oxo-3-(4H-triazol-5-yl)propyl]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide.

What is the SMILES notation for N-[5-(8-indol-1-yl-5-oxooctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;methanol;N-[5-(5-oxo-8-piperidin-1-yloctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;N-[5-(5-oxo-8-pyrrolidin-1-yloctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;N-[5-[4-[5-[2-oxo-3-(4H-triazol-5-yl)propyl]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?

The canonical SMILES for N-[5-(8-indol-1-yl-5-oxooctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;methanol;N-[5-(5-oxo-8-piperidin-1-yloctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;N-[5-(5-oxo-8-pyrrolidin-1-yloctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;N-[5-[4-[5-[2-oxo-3-(4H-triazol-5-yl)propyl]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide is CO.CO.CO.O=C(CC1=NN=NC1)Cc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)s1.O=C(CCCCc1nnc(NC(=O)Cc2ccccc2)s1)CCCN1CCCC1.O=C(CCCCc1nnc(NC(=O)Cc2ccccc2)s1)CCCN1CCCCC1.O=C(CCCCc1nnc(NC(=O)Cc2ccccc2)s1)CCCn1ccc2ccccc21.

What is the InChIKey of N-[5-(8-indol-1-yl-5-oxooctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;methanol;N-[5-(5-oxo-8-piperidin-1-yloctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;N-[5-(5-oxo-8-pyrrolidin-1-yloctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;N-[5-[4-[5-[2-oxo-3-(4H-triazol-5-yl)propyl]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?

The InChIKey is UWGHNVRQTDNMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2S.C23H32N4O2S.C22H30N4O2S.C21H22N8O2S2.3CH4O/c31-22(13-8-17-30-18-16-21-11-4-6-14-23(21)30)12-5-7-15-25-28-29-26(33-25)27-24(32)19-20-9-2-1-3-10-20;28-20(13-9-17-27-15-7-2-8-16-27)12-5-6-14-22-25-26-23(30-22)24-21(29)18-19-10-3-1-4-11-19;27-19(12-8-16-26-14-6-7-15-26)11-4-5-13-21-24-25-22(29-21)23-20(28)17-18-9-2-1-3-10-18;30-16(11-15-13-22-29-24-15)12-20-27-25-18(32-20)8-4-5-9-19-26-28-21(33-19)23-17(31)10-14-6-2-1-3-7-14;3*1-2/h1-4,6,9-11,14,16,18H,5,7-8,12-13,15,17,19H2,(H,27,29,32);1,3-4,10-11H,2,5-9,12-18H2,(H,24,26,29);1-3,9-10H,4-8,11-17H2,(H,23,25,28);1-3,6-7H,4-5,8-13H2,(H,23,28,31);3*2H,1H3.

What are the key properties of N-[5-(8-indol-1-yl-5-oxooctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;methanol;N-[5-(5-oxo-8-piperidin-1-yloctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;N-[5-(5-oxo-8-pyrrolidin-1-yloctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;N-[5-[4-[5-[2-oxo-3-(4H-triazol-5-yl)propyl]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?

N-[5-(8-indol-1-yl-5-oxooctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;methanol;N-[5-(5-oxo-8-piperidin-1-yloctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;N-[5-(5-oxo-8-pyrrolidin-1-yloctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;N-[5-[4-[5-[2-oxo-3-(4H-triazol-5-yl)propyl]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide has a molecular weight of 1882.50 g/mol, XLogP of 15.87, 48 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(8-indol-1-yl-5-oxooctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;methanol;N-[5-(5-oxo-8-piperidin-1-yloctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;N-[5-(5-oxo-8-pyrrolidin-1-yloctyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;N-[5-[4-[5-[2-oxo-3-(4H-triazol-5-yl)propyl]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 161211206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).