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

C26H28N8O2S2 — CID 90163425

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

2-pyridin-2-yl-N-[5-[[4-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]methyl]cyclohexyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 90163425) has the molecular formula C26H28N8O2S2 and a molecular weight of 548.70 g/mol. Its IUPAC name is 2-pyridin-2-yl-N-[5-[[4-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]methyl]cyclohexyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-pyridin-2-yl-N-[5-[[4-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]methyl]cyclohexyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide
• PubChem CID: 90163425
• Molecular Formula: C26H28N8O2S2
• Molecular Weight: 548.70 g/mol
• Exact Mass: 548.18
• IUPAC Name: 2-pyridin-2-yl-N-[5-[[4-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]methyl]cyclohexyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide
• SMILES: O=C(Cc1ccccn1)Nc1nnc(CC2CCC(Cc3nnc(NC(=O)Cc4ccccn4)s3)CC2)s1
• InChI: InChI=1S/C26H28N8O2S2/c35-21(15-19-5-1-3-11-27-19)29-25-33-31-23(37-25)13-17-7-9-18(10-8-17)14-24-32-34-26(38-24)30-22(36)16-20-6-2-4-12-28-20/h1-6,11-12,17-18H,7-10,13-16H2,(H,29,33,35)(H,30,34,36)
• InChIKey: VBIKDQUKQWLKTN-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 135.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.70
LogP ≤ 5	4.13
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-[[4-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]methyl]cyclohexyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide?

The IUPAC name of 2-pyridin-2-yl-N-[5-[[4-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]methyl]cyclohexyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 90163425) is 2-pyridin-2-yl-N-[5-[[4-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]methyl]cyclohexyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide.

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

The canonical SMILES for 2-pyridin-2-yl-N-[5-[[4-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]methyl]cyclohexyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide is O=C(Cc1ccccn1)Nc1nnc(CC2CCC(Cc3nnc(NC(=O)Cc4ccccn4)s3)CC2)s1.

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

The InChIKey is VBIKDQUKQWLKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O2S2/c35-21(15-19-5-1-3-11-27-19)29-25-33-31-23(37-25)13-17-7-9-18(10-8-17)14-24-32-34-26(38-24)30-22(36)16-20-6-2-4-12-28-20/h1-6,11-12,17-18H,7-10,13-16H2,(H,29,33,35)(H,30,34,36).

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

2-pyridin-2-yl-N-[5-[[4-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]methyl]cyclohexyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 548.70 g/mol, XLogP of 4.13, 10 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-[[4-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]methyl]cyclohexyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 90163425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).