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

C22H22N8O3S3 — CID 74767870

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

2-pyridin-2-yl-N-[5-[2-[2-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfinyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 74767870) has the molecular formula C22H22N8O3S3 and a molecular weight of 542.67 g/mol. Its IUPAC name is 2-pyridin-2-yl-N-[5-[2-[2-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfinyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-pyridin-2-yl-N-[5-[2-[2-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfinyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
• PubChem CID: 74767870
• Molecular Formula: C22H22N8O3S3
• Molecular Weight: 542.67 g/mol
• Exact Mass: 542.10
• IUPAC Name: 2-pyridin-2-yl-N-[5-[2-[2-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfinyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
• SMILES: O=C(Cc1ccccn1)Nc1nnc(CCS(=O)CCc2nnc(NC(=O)Cc3ccccn3)s2)s1
• InChI: InChI=1S/C22H22N8O3S3/c31-17(13-15-5-1-3-9-23-15)25-21-29-27-19(34-21)7-11-36(33)12-8-20-28-30-22(35-20)26-18(32)14-16-6-2-4-10-24-16/h1-6,9-10H,7-8,11-14H2,(H,25,29,31)(H,26,30,32)
• InChIKey: FPLBFACRKCGNIL-UHFFFAOYSA-N
• XLogP: 2.08
• TPSA: 152.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.67
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 2-pyridin-2-yl-N-[5-[2-[2-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfinyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 74767870) is 2-pyridin-2-yl-N-[5-[2-[2-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfinyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide.

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

The canonical SMILES for 2-pyridin-2-yl-N-[5-[2-[2-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfinyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide is O=C(Cc1ccccn1)Nc1nnc(CCS(=O)CCc2nnc(NC(=O)Cc3ccccn3)s2)s1.

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

The InChIKey is FPLBFACRKCGNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O3S3/c31-17(13-15-5-1-3-9-23-15)25-21-29-27-19(34-21)7-11-36(33)12-8-20-28-30-22(35-20)26-18(32)14-16-6-2-4-10-24-16/h1-6,9-10H,7-8,11-14H2,(H,25,29,31)(H,26,30,32).

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

2-pyridin-2-yl-N-[5-[2-[2-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfinyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 542.67 g/mol, XLogP of 2.08, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-pyridin-2-yl-N-[5-[2-[2-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfinyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 74767870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).