2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide

C21H18N4O2S3 — CID 47091926

About 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide

2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide (PubChem CID 47091926) has the molecular formula C21H18N4O2S3 and a molecular weight of 454.60 g/mol. Its IUPAC name is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide
• PubChem CID: 47091926
• Molecular Formula: C21H18N4O2S3
• Molecular Weight: 454.60 g/mol
• Exact Mass: 454.06
• IUPAC Name: 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide
• SMILES: CCOc1ccccc1-c1nc(CC(=O)Nc2ccccc2Sc2nncs2)cs1
• InChI: InChI=1S/C21H18N4O2S3/c1-2-27-17-9-5-3-7-15(17)20-23-14(12-28-20)11-19(26)24-16-8-4-6-10-18(16)30-21-25-22-13-29-21/h3-10,12-13H,2,11H2,1H3,(H,24,26)
• InChIKey: QPGGZYGMYQLSBB-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 77.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.60
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide?

The IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide (CID 47091926) is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide.

What is the SMILES notation for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide?

The canonical SMILES for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide is CCOc1ccccc1-c1nc(CC(=O)Nc2ccccc2Sc2nncs2)cs1.

What is the InChIKey of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide?

The InChIKey is QPGGZYGMYQLSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S3/c1-2-27-17-9-5-3-7-15(17)20-23-14(12-28-20)11-19(26)24-16-8-4-6-10-18(16)30-21-25-22-13-29-21/h3-10,12-13H,2,11H2,1H3,(H,24,26).

What are the key properties of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide?

2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide has a molecular weight of 454.60 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 47091926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).