sodium;hydride;4-[[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]methyl]-1,3-thiazolidine-2,5-dione

C24H21N2NaO4S2 — CID 173257733

About sodium;hydride;4-[[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]methyl]-1,3-thiazolidine-2,5-dione

sodium;hydride;4-[[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]methyl]-1,3-thiazolidine-2,5-dione (PubChem CID 173257733) has the molecular formula C24H21N2NaO4S2 and a molecular weight of 488.57 g/mol. Its IUPAC name is sodium;hydride;4-[[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]methyl]-1,3-thiazolidine-2,5-dione.

Molecular Properties

• Compound Name: sodium;hydride;4-[[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]methyl]-1,3-thiazolidine-2,5-dione
• PubChem CID: 173257733
• Molecular Formula: C24H21N2NaO4S2
• Molecular Weight: 488.57 g/mol
• Exact Mass: 488.08
• IUPAC Name: sodium;hydride;4-[[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]methyl]-1,3-thiazolidine-2,5-dione
• SMILES: Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2NC(=O)SC2=O)c2ccsc12.[H-].[Na+]
• InChI: InChI=1S/C24H20N2O4S2.Na.H/c1-14-18(25-22(30-14)15-5-3-2-4-6-15)9-11-29-20-8-7-16(17-10-12-31-21(17)20)13-19-23(27)32-24(28)26-19;;/h2-8,10,12,19H,9,11,13H2,1H3,(H,26,28);;/q;+1;-1
• InChIKey: QXIZQVHIMUKGNM-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 81.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.57
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;4-[[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]methyl]-1,3-thiazolidine-2,5-dione?

The IUPAC name of sodium;hydride;4-[[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]methyl]-1,3-thiazolidine-2,5-dione (CID 173257733) is sodium;hydride;4-[[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]methyl]-1,3-thiazolidine-2,5-dione.

What is the SMILES notation for sodium;hydride;4-[[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]methyl]-1,3-thiazolidine-2,5-dione?

The canonical SMILES for sodium;hydride;4-[[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]methyl]-1,3-thiazolidine-2,5-dione is Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2NC(=O)SC2=O)c2ccsc12.[H-].[Na+].

What is the InChIKey of sodium;hydride;4-[[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]methyl]-1,3-thiazolidine-2,5-dione?

The InChIKey is QXIZQVHIMUKGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4S2.Na.H/c1-14-18(25-22(30-14)15-5-3-2-4-6-15)9-11-29-20-8-7-16(17-10-12-31-21(17)20)13-19-23(27)32-24(28)26-19;;/h2-8,10,12,19H,9,11,13H2,1H3,(H,26,28);;/q;+1;-1.

What are the key properties of sodium;hydride;4-[[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]methyl]-1,3-thiazolidine-2,5-dione?

sodium;hydride;4-[[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]methyl]-1,3-thiazolidine-2,5-dione has a molecular weight of 488.57 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;hydride;4-[[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]methyl]-1,3-thiazolidine-2,5-dione is sourced from PubChem (CID 173257733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).