5-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide

C19H14Cl2FN3O2S — CID 60567350

About 5-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide

5-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide (PubChem CID 60567350) has the molecular formula C19H14Cl2FN3O2S and a molecular weight of 438.31 g/mol. Its IUPAC name is 5-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide.

Molecular Properties

• Compound Name: 5-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
• PubChem CID: 60567350
• Molecular Formula: C19H14Cl2FN3O2S
• Molecular Weight: 438.31 g/mol
• Exact Mass: 437.02
• IUPAC Name: 5-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
• SMILES: CC(=O)Nc1ccc(F)c(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)c1
• InChI: InChI=1S/C19H14Cl2FN3O2S/c1-10(26)24-13-3-5-17(22)15(8-13)18(27)25-19-23-9-14(28-19)7-11-6-12(20)2-4-16(11)21/h2-6,8-9H,7H2,1H3,(H,24,26)(H,23,25,27)
• InChIKey: IEFKDNYQIUEPQX-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.31
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide?

The IUPAC name of 5-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide (CID 60567350) is 5-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide.

What is the SMILES notation for 5-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide?

The canonical SMILES for 5-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide is CC(=O)Nc1ccc(F)c(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)c1.

What is the InChIKey of 5-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide?

The InChIKey is IEFKDNYQIUEPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2FN3O2S/c1-10(26)24-13-3-5-17(22)15(8-13)18(27)25-19-23-9-14(28-19)7-11-6-12(20)2-4-16(11)21/h2-6,8-9H,7H2,1H3,(H,24,26)(H,23,25,27).

What are the key properties of 5-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide?

5-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide has a molecular weight of 438.31 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 60567350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).