N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-fluoro-6-methylphenyl)acetamide

C20H20FN3O3S — CID 145342907

About N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-fluoro-6-methylphenyl)acetamide

N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-fluoro-6-methylphenyl)acetamide (PubChem CID 145342907) has the molecular formula C20H20FN3O3S and a molecular weight of 401.46 g/mol. Its IUPAC name is N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-fluoro-6-methylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-fluoro-6-methylphenyl)acetamide
• PubChem CID: 145342907
• Molecular Formula: C20H20FN3O3S
• Molecular Weight: 401.46 g/mol
• Exact Mass: 401.12
• IUPAC Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-fluoro-6-methylphenyl)acetamide
• SMILES: COc1ccc(Cc2nnc(NC(=O)Cc3c(C)cccc3F)s2)cc1OC
• InChI: InChI=1S/C20H20FN3O3S/c1-12-5-4-6-15(21)14(12)11-18(25)22-20-24-23-19(28-20)10-13-7-8-16(26-2)17(9-13)27-3/h4-9H,10-11H2,1-3H3,(H,22,24,25)
• InChIKey: GXJOLVJYPIUQIH-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 73.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.46
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-fluoro-6-methylphenyl)acetamide?

The IUPAC name of N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-fluoro-6-methylphenyl)acetamide (CID 145342907) is N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-fluoro-6-methylphenyl)acetamide.

What is the SMILES notation for N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-fluoro-6-methylphenyl)acetamide?

The canonical SMILES for N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-fluoro-6-methylphenyl)acetamide is COc1ccc(Cc2nnc(NC(=O)Cc3c(C)cccc3F)s2)cc1OC.

What is the InChIKey of N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-fluoro-6-methylphenyl)acetamide?

The InChIKey is GXJOLVJYPIUQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3S/c1-12-5-4-6-15(21)14(12)11-18(25)22-20-24-23-19(28-20)10-13-7-8-16(26-2)17(9-13)27-3/h4-9H,10-11H2,1-3H3,(H,22,24,25).

What are the key properties of N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-fluoro-6-methylphenyl)acetamide?

N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-fluoro-6-methylphenyl)acetamide has a molecular weight of 401.46 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-fluoro-6-methylphenyl)acetamide is sourced from PubChem (CID 145342907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).