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

C24H25N7O3S3 — CID 74982615

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

2-(3-methoxyphenyl)-N-[5-[2-[2-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 74982615) has the molecular formula C24H25N7O3S3 and a molecular weight of 555.71 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[5-[2-[2-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(3-methoxyphenyl)-N-[5-[2-[2-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
• PubChem CID: 74982615
• Molecular Formula: C24H25N7O3S3
• Molecular Weight: 555.71 g/mol
• Exact Mass: 555.12
• IUPAC Name: 2-(3-methoxyphenyl)-N-[5-[2-[2-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
• SMILES: COc1cccc(CC(=O)Nc2nnc(CCSCCc3nnc(NC(=O)Cc4ccccn4)s3)s2)c1
• InChI: InChI=1S/C24H25N7O3S3/c1-34-18-7-4-5-16(13-18)14-19(32)26-23-30-28-21(36-23)8-11-35-12-9-22-29-31-24(37-22)27-20(33)15-17-6-2-3-10-25-17/h2-7,10,13H,8-9,11-12,14-15H2,1H3,(H,26,30,32)(H,27,31,33)
• InChIKey: BWTGDJWWLZSIRM-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 131.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.71
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
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-(3-methoxyphenyl)-N-[5-[2-[2-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide?

The IUPAC name of 2-(3-methoxyphenyl)-N-[5-[2-[2-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 74982615) is 2-(3-methoxyphenyl)-N-[5-[2-[2-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide.

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

The canonical SMILES for 2-(3-methoxyphenyl)-N-[5-[2-[2-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide is COc1cccc(CC(=O)Nc2nnc(CCSCCc3nnc(NC(=O)Cc4ccccn4)s3)s2)c1.

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

The InChIKey is BWTGDJWWLZSIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3S3/c1-34-18-7-4-5-16(13-18)14-19(32)26-23-30-28-21(36-23)8-11-35-12-9-22-29-31-24(37-22)27-20(33)15-17-6-2-3-10-25-17/h2-7,10,13H,8-9,11-12,14-15H2,1H3,(H,26,30,32)(H,27,31,33).

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

2-(3-methoxyphenyl)-N-[5-[2-[2-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 555.71 g/mol, XLogP of 3.67, 13 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methoxyphenyl)-N-[5-[2-[2-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 74982615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).