3-bromo-5-fluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

C17H11BrF2N2O2S — CID 55722696

About 3-bromo-5-fluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

3-bromo-5-fluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 55722696) has the molecular formula C17H11BrF2N2O2S and a molecular weight of 425.25 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 3-bromo-5-fluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
• PubChem CID: 55722696
• Molecular Formula: C17H11BrF2N2O2S
• Molecular Weight: 425.25 g/mol
• Exact Mass: 423.97
• IUPAC Name: 3-bromo-5-fluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
• SMILES: COc1ccc(F)cc1-c1csc(NC(=O)c2cc(F)cc(Br)c2)n1
• InChI: InChI=1S/C17H11BrF2N2O2S/c1-24-15-3-2-11(19)7-13(15)14-8-25-17(21-14)22-16(23)9-4-10(18)6-12(20)5-9/h2-8H,1H3,(H,21,22,23)
• InChIKey: MCJPZRICAOGDNK-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.25
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 3-bromo-5-fluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 55722696) is 3-bromo-5-fluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 3-bromo-5-fluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 3-bromo-5-fluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is COc1ccc(F)cc1-c1csc(NC(=O)c2cc(F)cc(Br)c2)n1.

What is the InChIKey of 3-bromo-5-fluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?

The InChIKey is MCJPZRICAOGDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrF2N2O2S/c1-24-15-3-2-11(19)7-13(15)14-8-25-17(21-14)22-16(23)9-4-10(18)6-12(20)5-9/h2-8H,1H3,(H,21,22,23).

What are the key properties of 3-bromo-5-fluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?

3-bromo-5-fluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 425.25 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-fluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 55722696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).