2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide

C23H20FN3OS2 — CID 16568239

About 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide

2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide (PubChem CID 16568239) has the molecular formula C23H20FN3OS2 and a molecular weight of 437.57 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
• PubChem CID: 16568239
• Molecular Formula: C23H20FN3OS2
• Molecular Weight: 437.57 g/mol
• Exact Mass: 437.10
• IUPAC Name: 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
• SMILES: Cc1nc(-c2ccc(CCNC(=O)Cc3csc(-c4ccc(F)cc4)n3)cc2)cs1
• InChI: InChI=1S/C23H20FN3OS2/c1-15-26-21(14-29-15)17-4-2-16(3-5-17)10-11-25-22(28)12-20-13-30-23(27-20)18-6-8-19(24)9-7-18/h2-9,13-14H,10-12H2,1H3,(H,25,28)
• InChIKey: KKXMTXLNBGRKFX-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.57
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide (CID 16568239) is 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide.

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

The canonical SMILES for 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide is Cc1nc(-c2ccc(CCNC(=O)Cc3csc(-c4ccc(F)cc4)n3)cc2)cs1.

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

The InChIKey is KKXMTXLNBGRKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3OS2/c1-15-26-21(14-29-15)17-4-2-16(3-5-17)10-11-25-22(28)12-20-13-30-23(27-20)18-6-8-19(24)9-7-18/h2-9,13-14H,10-12H2,1H3,(H,25,28).

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

2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide has a molecular weight of 437.57 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 16568239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).