2-[4-bromo-2-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide

C19H12BrFN4O3S — CID 19256138

About 2-[4-bromo-2-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide

2-[4-bromo-2-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide (PubChem CID 19256138) has the molecular formula C19H12BrFN4O3S and a molecular weight of 475.30 g/mol. Its IUPAC name is 2-[4-bromo-2-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-bromo-2-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
• PubChem CID: 19256138
• Molecular Formula: C19H12BrFN4O3S
• Molecular Weight: 475.30 g/mol
• Exact Mass: 473.98
• IUPAC Name: 2-[4-bromo-2-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
• SMILES: O=C(COc1ccc(Br)cc1/C=c1\sc2ncnn2c1=O)Nc1ccc(F)cc1
• InChI: InChI=1S/C19H12BrFN4O3S/c20-12-1-6-15(28-9-17(26)24-14-4-2-13(21)3-5-14)11(7-12)8-16-18(27)25-19(29-16)22-10-23-25/h1-8,10H,9H2,(H,24,26)/b16-8-
• InChIKey: YHIWJCQFSPIBTL-PXNMLYILSA-N
• XLogP: 2.62
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.30
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide?

The IUPAC name of 2-[4-bromo-2-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide (CID 19256138) is 2-[4-bromo-2-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide.

What is the SMILES notation for 2-[4-bromo-2-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide?

The canonical SMILES for 2-[4-bromo-2-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide is O=C(COc1ccc(Br)cc1/C=c1\sc2ncnn2c1=O)Nc1ccc(F)cc1.

What is the InChIKey of 2-[4-bromo-2-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide?

The InChIKey is YHIWJCQFSPIBTL-PXNMLYILSA-N. The full InChI is InChI=1S/C19H12BrFN4O3S/c20-12-1-6-15(28-9-17(26)24-14-4-2-13(21)3-5-14)11(7-12)8-16-18(27)25-19(29-16)22-10-23-25/h1-8,10H,9H2,(H,24,26)/b16-8-.

What are the key properties of 2-[4-bromo-2-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide?

2-[4-bromo-2-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide has a molecular weight of 475.30 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-bromo-2-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 19256138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).