2-(2-bromophenyl)-N-[5-[4-[5-[[2-(2-bromophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide

C24H22Br2N6O2S2 — CID 74982549

About 2-(2-bromophenyl)-N-[5-[4-[5-[[2-(2-bromophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide

2-(2-bromophenyl)-N-[5-[4-[5-[[2-(2-bromophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 74982549) has the molecular formula C24H22Br2N6O2S2 and a molecular weight of 650.42 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-[5-[4-[5-[[2-(2-bromophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(2-bromophenyl)-N-[5-[4-[5-[[2-(2-bromophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
• PubChem CID: 74982549
• Molecular Formula: C24H22Br2N6O2S2
• Molecular Weight: 650.42 g/mol
• Exact Mass: 647.96
• IUPAC Name: 2-(2-bromophenyl)-N-[5-[4-[5-[[2-(2-bromophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
• SMILES: O=C(Cc1ccccc1Br)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3Br)s2)s1
• InChI: InChI=1S/C24H22Br2N6O2S2/c25-17-9-3-1-7-15(17)13-19(33)27-23-31-29-21(35-23)11-5-6-12-22-30-32-24(36-22)28-20(34)14-16-8-2-4-10-18(16)26/h1-4,7-10H,5-6,11-14H2,(H,27,31,33)(H,28,32,34)
• InChIKey: KKLQPOGPWZIQSH-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 109.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.42
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-[5-[4-[5-[[2-(2-bromophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide?

The IUPAC name of 2-(2-bromophenyl)-N-[5-[4-[5-[[2-(2-bromophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 74982549) is 2-(2-bromophenyl)-N-[5-[4-[5-[[2-(2-bromophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide.

What is the SMILES notation for 2-(2-bromophenyl)-N-[5-[4-[5-[[2-(2-bromophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide?

The canonical SMILES for 2-(2-bromophenyl)-N-[5-[4-[5-[[2-(2-bromophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide is O=C(Cc1ccccc1Br)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3Br)s2)s1.

What is the InChIKey of 2-(2-bromophenyl)-N-[5-[4-[5-[[2-(2-bromophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide?

The InChIKey is KKLQPOGPWZIQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Br2N6O2S2/c25-17-9-3-1-7-15(17)13-19(33)27-23-31-29-21(35-23)11-5-6-12-22-30-32-24(36-22)28-20(34)14-16-8-2-4-10-18(16)26/h1-4,7-10H,5-6,11-14H2,(H,27,31,33)(H,28,32,34).

What are the key properties of 2-(2-bromophenyl)-N-[5-[4-[5-[[2-(2-bromophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide?

2-(2-bromophenyl)-N-[5-[4-[5-[[2-(2-bromophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 650.42 g/mol, XLogP of 5.84, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-bromophenyl)-N-[5-[4-[5-[[2-(2-bromophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 74982549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).