2-[3-[(2,5-difluorophenyl)methoxy]phenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide

C24H18F2N2O2S — CID 42866147

About 2-[3-[(2,5-difluorophenyl)methoxy]phenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide

2-[3-[(2,5-difluorophenyl)methoxy]phenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 42866147) has the molecular formula C24H18F2N2O2S and a molecular weight of 436.48 g/mol. Its IUPAC name is 2-[3-[(2,5-difluorophenyl)methoxy]phenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[3-[(2,5-difluorophenyl)methoxy]phenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 42866147
• Molecular Formula: C24H18F2N2O2S
• Molecular Weight: 436.48 g/mol
• Exact Mass: 436.11
• IUPAC Name: 2-[3-[(2,5-difluorophenyl)methoxy]phenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
• SMILES: Cc1ccc(NC(=O)c2csc(-c3cccc(OCc4cc(F)ccc4F)c3)n2)cc1
• InChI: InChI=1S/C24H18F2N2O2S/c1-15-5-8-19(9-6-15)27-23(29)22-14-31-24(28-22)16-3-2-4-20(12-16)30-13-17-11-18(25)7-10-21(17)26/h2-12,14H,13H2,1H3,(H,27,29)
• InChIKey: RDSCUEATPQWYSG-UHFFFAOYSA-N
• XLogP: 6.23
• 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	436.48
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,5-difluorophenyl)methoxy]phenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[3-[(2,5-difluorophenyl)methoxy]phenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide (CID 42866147) is 2-[3-[(2,5-difluorophenyl)methoxy]phenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[3-[(2,5-difluorophenyl)methoxy]phenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[3-[(2,5-difluorophenyl)methoxy]phenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1ccc(NC(=O)c2csc(-c3cccc(OCc4cc(F)ccc4F)c3)n2)cc1.

What is the InChIKey of 2-[3-[(2,5-difluorophenyl)methoxy]phenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide?

The InChIKey is RDSCUEATPQWYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O2S/c1-15-5-8-19(9-6-15)27-23(29)22-14-31-24(28-22)16-3-2-4-20(12-16)30-13-17-11-18(25)7-10-21(17)26/h2-12,14H,13H2,1H3,(H,27,29).

What are the key properties of 2-[3-[(2,5-difluorophenyl)methoxy]phenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide?

2-[3-[(2,5-difluorophenyl)methoxy]phenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(2,5-difluorophenyl)methoxy]phenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42866147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).