2-(2-chloro-6-fluorophenyl)-1-[(5S)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]ethanone

C18H15Cl2FN2OS — CID 7916524

About 2-(2-chloro-6-fluorophenyl)-1-[(5S)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]ethanone

2-(2-chloro-6-fluorophenyl)-1-[(5S)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]ethanone (PubChem CID 7916524) has the molecular formula C18H15Cl2FN2OS and a molecular weight of 397.30 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-[(5S)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

• Compound Name: 2-(2-chloro-6-fluorophenyl)-1-[(5S)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]ethanone
• PubChem CID: 7916524
• Molecular Formula: C18H15Cl2FN2OS
• Molecular Weight: 397.30 g/mol
• Exact Mass: 396.03
• IUPAC Name: 2-(2-chloro-6-fluorophenyl)-1-[(5S)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]ethanone
• SMILES: C[C@H]1CN(C(=O)Cc2c(F)cccc2Cl)/C(=N/c2ccc(Cl)cc2)S1
• InChI: InChI=1S/C18H15Cl2FN2OS/c1-11-10-23(17(24)9-14-15(20)3-2-4-16(14)21)18(25-11)22-13-7-5-12(19)6-8-13/h2-8,11H,9-10H2,1H3/b22-18-/t11-/m0/s1
• InChIKey: CUESNYHAODRVEC-UDJRCTOUSA-N
• XLogP: 5.33
• TPSA: 32.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	397.30
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[(5S)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]ethanone?

The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[(5S)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]ethanone (CID 7916524) is 2-(2-chloro-6-fluorophenyl)-1-[(5S)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]ethanone.

What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-[(5S)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]ethanone?

The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-[(5S)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]ethanone is C[C@H]1CN(C(=O)Cc2c(F)cccc2Cl)/C(=N/c2ccc(Cl)cc2)S1.

What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-[(5S)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]ethanone?

The InChIKey is CUESNYHAODRVEC-UDJRCTOUSA-N. The full InChI is InChI=1S/C18H15Cl2FN2OS/c1-11-10-23(17(24)9-14-15(20)3-2-4-16(14)21)18(25-11)22-13-7-5-12(19)6-8-13/h2-8,11H,9-10H2,1H3/b22-18-/t11-/m0/s1.

What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-[(5S)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]ethanone?

2-(2-chloro-6-fluorophenyl)-1-[(5S)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 397.30 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chloro-6-fluorophenyl)-1-[(5S)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 7916524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).