2-pyridin-2-yl-N-[5-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cycloheptyl]-1,3,4-thiadiazol-2-yl]acetamide

C25H26N8O2S2 — CID 90163298

About 2-pyridin-2-yl-N-[5-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cycloheptyl]-1,3,4-thiadiazol-2-yl]acetamide

2-pyridin-2-yl-N-[5-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cycloheptyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 90163298) has the molecular formula C25H26N8O2S2 and a molecular weight of 534.67 g/mol. Its IUPAC name is 2-pyridin-2-yl-N-[5-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cycloheptyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-pyridin-2-yl-N-[5-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cycloheptyl]-1,3,4-thiadiazol-2-yl]acetamide
• PubChem CID: 90163298
• Molecular Formula: C25H26N8O2S2
• Molecular Weight: 534.67 g/mol
• Exact Mass: 534.16
• IUPAC Name: 2-pyridin-2-yl-N-[5-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cycloheptyl]-1,3,4-thiadiazol-2-yl]acetamide
• SMILES: O=C(Cc1ccccn1)Nc1nnc(C2CCCCC(c3nnc(NC(=O)Cc4ccccn4)s3)C2)s1
• InChI: InChI=1S/C25H26N8O2S2/c34-20(14-18-9-3-5-11-26-18)28-24-32-30-22(36-24)16-7-1-2-8-17(13-16)23-31-33-25(37-23)29-21(35)15-19-10-4-6-12-27-19/h3-6,9-12,16-17H,1-2,7-8,13-15H2,(H,28,32,34)(H,29,33,35)
• InChIKey: LOYIFDAIZDWGCQ-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 135.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.67
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-N-[5-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cycloheptyl]-1,3,4-thiadiazol-2-yl]acetamide?

The IUPAC name of 2-pyridin-2-yl-N-[5-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cycloheptyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 90163298) is 2-pyridin-2-yl-N-[5-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cycloheptyl]-1,3,4-thiadiazol-2-yl]acetamide.

What is the SMILES notation for 2-pyridin-2-yl-N-[5-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cycloheptyl]-1,3,4-thiadiazol-2-yl]acetamide?

The canonical SMILES for 2-pyridin-2-yl-N-[5-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cycloheptyl]-1,3,4-thiadiazol-2-yl]acetamide is O=C(Cc1ccccn1)Nc1nnc(C2CCCCC(c3nnc(NC(=O)Cc4ccccn4)s3)C2)s1.

What is the InChIKey of 2-pyridin-2-yl-N-[5-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cycloheptyl]-1,3,4-thiadiazol-2-yl]acetamide?

The InChIKey is LOYIFDAIZDWGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O2S2/c34-20(14-18-9-3-5-11-26-18)28-24-32-30-22(36-24)16-7-1-2-8-17(13-16)23-31-33-25(37-23)29-21(35)15-19-10-4-6-12-27-19/h3-6,9-12,16-17H,1-2,7-8,13-15H2,(H,28,32,34)(H,29,33,35).

What are the key properties of 2-pyridin-2-yl-N-[5-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cycloheptyl]-1,3,4-thiadiazol-2-yl]acetamide?

2-pyridin-2-yl-N-[5-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cycloheptyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 534.67 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-pyridin-2-yl-N-[5-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cycloheptyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 90163298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).