N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

C22H23FN2O2S — CID 19218344

About N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (PubChem CID 19218344) has the molecular formula C22H23FN2O2S and a molecular weight of 398.50 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
• PubChem CID: 19218344
• Molecular Formula: C22H23FN2O2S
• Molecular Weight: 398.50 g/mol
• Exact Mass: 398.15
• IUPAC Name: N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
• SMILES: Cc1cc(OCC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)ccc1C(C)C
• InChI: InChI=1S/C22H23FN2O2S/c1-13(2)19-10-9-18(11-14(19)3)27-12-20(26)24-22-25-21(15(4)28-22)16-5-7-17(23)8-6-16/h5-11,13H,12H2,1-4H3,(H,24,25,26)
• InChIKey: MMGUFZJSCCKANZ-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.50
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?

The IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (CID 19218344) is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.

What is the SMILES notation for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?

The canonical SMILES for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is Cc1cc(OCC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)ccc1C(C)C.

What is the InChIKey of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?

The InChIKey is MMGUFZJSCCKANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2S/c1-13(2)19-10-9-18(11-14(19)3)27-12-20(26)24-22-25-21(15(4)28-22)16-5-7-17(23)8-6-16/h5-11,13H,12H2,1-4H3,(H,24,25,26).

What are the key properties of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide has a molecular weight of 398.50 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 19218344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).