2-hydroxy-N-[5-[2-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide

C23H23N7O3S3 — CID 146626394

About 2-hydroxy-N-[5-[2-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide

2-hydroxy-N-[5-[2-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide (PubChem CID 146626394) has the molecular formula C23H23N7O3S3 and a molecular weight of 541.68 g/mol. Its IUPAC name is 2-hydroxy-N-[5-[2-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide.

Molecular Properties

• Compound Name: 2-hydroxy-N-[5-[2-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide
• PubChem CID: 146626394
• Molecular Formula: C23H23N7O3S3
• Molecular Weight: 541.68 g/mol
• Exact Mass: 541.10
• IUPAC Name: 2-hydroxy-N-[5-[2-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide
• SMILES: O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)C(O)c3cccnc3)s2)s1
• InChI: InChI=1S/C23H23N7O3S3/c31-17(13-15-5-2-1-3-6-15)25-22-29-27-18(35-22)8-11-34-12-9-19-28-30-23(36-19)26-21(33)20(32)16-7-4-10-24-14-16/h1-7,10,14,20,32H,8-9,11-13H2,(H,25,29,31)(H,26,30,33)
• InChIKey: AOGHZWDXHMIYFD-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 142.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.68
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[5-[2-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide?

The IUPAC name of 2-hydroxy-N-[5-[2-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide (CID 146626394) is 2-hydroxy-N-[5-[2-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide.

What is the SMILES notation for 2-hydroxy-N-[5-[2-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide?

The canonical SMILES for 2-hydroxy-N-[5-[2-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide is O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)C(O)c3cccnc3)s2)s1.

What is the InChIKey of 2-hydroxy-N-[5-[2-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide?

The InChIKey is AOGHZWDXHMIYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3S3/c31-17(13-15-5-2-1-3-6-15)25-22-29-27-18(35-22)8-11-34-12-9-19-28-30-23(36-19)26-21(33)20(32)16-7-4-10-24-14-16/h1-7,10,14,20,32H,8-9,11-13H2,(H,25,29,31)(H,26,30,33).

What are the key properties of 2-hydroxy-N-[5-[2-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide?

2-hydroxy-N-[5-[2-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide has a molecular weight of 541.68 g/mol, XLogP of 3.16, 12 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-N-[5-[2-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 146626394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).