2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide

C24H18Cl2N2O2S — CID 83287859

About 2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide

2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 83287859) has the molecular formula C24H18Cl2N2O2S and a molecular weight of 469.39 g/mol. Its IUPAC name is 2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 83287859
• Molecular Formula: C24H18Cl2N2O2S
• Molecular Weight: 469.39 g/mol
• Exact Mass: 468.05
• IUPAC Name: 2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide
• SMILES: Cc1cccc(NC(=O)c2csc(-c3cccc(OCc4ccc(Cl)cc4Cl)c3)n2)c1
• InChI: InChI=1S/C24H18Cl2N2O2S/c1-15-4-2-6-19(10-15)27-23(29)22-14-31-24(28-22)16-5-3-7-20(11-16)30-13-17-8-9-18(25)12-21(17)26/h2-12,14H,13H2,1H3,(H,27,29)
• InChIKey: ZQOWUHLXTPSEOM-UHFFFAOYSA-N
• XLogP: 7.26
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.39
LogP ≤ 5	7.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide (CID 83287859) is 2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1cccc(NC(=O)c2csc(-c3cccc(OCc4ccc(Cl)cc4Cl)c3)n2)c1.

What is the InChIKey of 2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide?

The InChIKey is ZQOWUHLXTPSEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O2S/c1-15-4-2-6-19(10-15)27-23(29)22-14-31-24(28-22)16-5-3-7-20(11-16)30-13-17-8-9-18(25)12-21(17)26/h2-12,14H,13H2,1H3,(H,27,29).

What are the key properties of 2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide?

2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 469.39 g/mol, XLogP of 7.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 83287859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).