2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide

C19H17N3O4S2 — CID 15946683

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 15946683) has the molecular formula C19H17N3O4S2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
• PubChem CID: 15946683
• Molecular Formula: C19H17N3O4S2
• Molecular Weight: 415.50 g/mol
• Exact Mass: 415.07
• IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
• SMILES: COc1ccc(C2SCC(=O)N2NC(=O)CSc2nc3ccccc3o2)cc1
• InChI: InChI=1S/C19H17N3O4S2/c1-25-13-8-6-12(7-9-13)18-22(17(24)11-27-18)21-16(23)10-28-19-20-14-4-2-3-5-15(14)26-19/h2-9,18H,10-11H2,1H3,(H,21,23)
• InChIKey: YFESRCJTQCTVDS-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 84.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.50
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?

The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide (CID 15946683) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide.

What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?

The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide is COc1ccc(C2SCC(=O)N2NC(=O)CSc2nc3ccccc3o2)cc1.

What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?

The InChIKey is YFESRCJTQCTVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S2/c1-25-13-8-6-12(7-9-13)18-22(17(24)11-27-18)21-16(23)10-28-19-20-14-4-2-3-5-15(14)26-19/h2-9,18H,10-11H2,1H3,(H,21,23).

What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 415.50 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 15946683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).