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

C24H24N6O4S2 — CID 90165500

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

2-(4-hydroxyphenyl)-N-[5-[4-[5-[[2-(4-hydroxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 90165500) has the molecular formula C24H24N6O4S2 and a molecular weight of 524.63 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N-[5-[4-[5-[[2-(4-hydroxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-hydroxyphenyl)-N-[5-[4-[5-[[2-(4-hydroxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
• PubChem CID: 90165500
• Molecular Formula: C24H24N6O4S2
• Molecular Weight: 524.63 g/mol
• Exact Mass: 524.13
• IUPAC Name: 2-(4-hydroxyphenyl)-N-[5-[4-[5-[[2-(4-hydroxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
• SMILES: O=C(Cc1ccc(O)cc1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccc(O)cc3)s2)s1
• InChI: InChI=1S/C24H24N6O4S2/c31-17-9-5-15(6-10-17)13-19(33)25-23-29-27-21(35-23)3-1-2-4-22-28-30-24(36-22)26-20(34)14-16-7-11-18(32)12-8-16/h5-12,31-32H,1-4,13-14H2,(H,25,29,33)(H,26,30,34)
• InChIKey: JOLPBFJWUBRJFY-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 150.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.63
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-(4-hydroxyphenyl)-N-[5-[4-[5-[[2-(4-hydroxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 90165500) is 2-(4-hydroxyphenyl)-N-[5-[4-[5-[[2-(4-hydroxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide.

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

The canonical SMILES for 2-(4-hydroxyphenyl)-N-[5-[4-[5-[[2-(4-hydroxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide is O=C(Cc1ccc(O)cc1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccc(O)cc3)s2)s1.

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

The InChIKey is JOLPBFJWUBRJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4S2/c31-17-9-5-15(6-10-17)13-19(33)25-23-29-27-21(35-23)3-1-2-4-22-28-30-24(36-22)26-20(34)14-16-7-11-18(32)12-8-16/h5-12,31-32H,1-4,13-14H2,(H,25,29,33)(H,26,30,34).

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

2-(4-hydroxyphenyl)-N-[5-[4-[5-[[2-(4-hydroxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 524.63 g/mol, XLogP of 3.73, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-hydroxyphenyl)-N-[5-[4-[5-[[2-(4-hydroxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 90165500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).