lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]benzoic acid;hydride

C26H21Cl2LiN2O4S — CID 173235311

About lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]benzoic acid;hydride

lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]benzoic acid;hydride (PubChem CID 173235311) has the molecular formula C26H21Cl2LiN2O4S and a molecular weight of 535.38 g/mol. Its IUPAC name is lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]benzoic acid;hydride.

Molecular Properties

• Compound Name: lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]benzoic acid;hydride
• PubChem CID: 173235311
• Molecular Formula: C26H21Cl2LiN2O4S
• Molecular Weight: 535.38 g/mol
• Exact Mass: 534.08
• IUPAC Name: lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]benzoic acid;hydride
• SMILES: Cc1sc(-c2ccccc2)nc1CCOc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)O)c1.[H-].[Li+]
• InChI: InChI=1S/C26H20Cl2N2O4S.Li.H/c1-15-22(30-25(35-15)16-5-3-2-4-6-16)11-12-34-18-8-10-23(20(14-18)26(32)33)29-24(31)19-9-7-17(27)13-21(19)28;;/h2-10,13-14H,11-12H2,1H3,(H,29,31)(H,32,33);;/q;+1;-1
• InChIKey: LRYQNUPTHHFZPV-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 88.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.38
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]benzoic acid;hydride?

The IUPAC name of lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]benzoic acid;hydride (CID 173235311) is lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]benzoic acid;hydride.

What is the SMILES notation for lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]benzoic acid;hydride?

The canonical SMILES for lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]benzoic acid;hydride is Cc1sc(-c2ccccc2)nc1CCOc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)O)c1.[H-].[Li+].

What is the InChIKey of lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]benzoic acid;hydride?

The InChIKey is LRYQNUPTHHFZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2N2O4S.Li.H/c1-15-22(30-25(35-15)16-5-3-2-4-6-16)11-12-34-18-8-10-23(20(14-18)26(32)33)29-24(31)19-9-7-17(27)13-21(19)28;;/h2-10,13-14H,11-12H2,1H3,(H,29,31)(H,32,33);;/q;+1;-1.

What are the key properties of lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]benzoic acid;hydride?

lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]benzoic acid;hydride has a molecular weight of 535.38 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]benzoic acid;hydride is sourced from PubChem (CID 173235311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).