2-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

C24H18ClFN2O3S — CID 42866122

About 2-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

2-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 42866122) has the molecular formula C24H18ClFN2O3S and a molecular weight of 468.94 g/mol. Its IUPAC name is 2-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 42866122
• Molecular Formula: C24H18ClFN2O3S
• Molecular Weight: 468.94 g/mol
• Exact Mass: 468.07
• IUPAC Name: 2-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
• SMILES: COc1ccc(NC(=O)c2csc(-c3cccc(OCc4c(F)cccc4Cl)c3)n2)cc1
• InChI: InChI=1S/C24H18ClFN2O3S/c1-30-17-10-8-16(9-11-17)27-23(29)22-14-32-24(28-22)15-4-2-5-18(12-15)31-13-19-20(25)6-3-7-21(19)26/h2-12,14H,13H2,1H3,(H,27,29)
• InChIKey: ZAGALBLWBXMIPM-UHFFFAOYSA-N
• XLogP: 6.44
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.94
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 42866122) is 2-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(NC(=O)c2csc(-c3cccc(OCc4c(F)cccc4Cl)c3)n2)cc1.

What is the InChIKey of 2-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?

The InChIKey is ZAGALBLWBXMIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN2O3S/c1-30-17-10-8-16(9-11-17)27-23(29)22-14-32-24(28-22)15-4-2-5-18(12-15)31-13-19-20(25)6-3-7-21(19)26/h2-12,14H,13H2,1H3,(H,27,29).

What are the key properties of 2-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?

2-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 468.94 g/mol, XLogP of 6.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42866122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).