2-(2-chloro-6-fluorophenyl)-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-thiazolidin-4-one

C17H9ClF4N2OS2 — CID 155924372

About 2-(2-chloro-6-fluorophenyl)-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-thiazolidin-4-one

2-(2-chloro-6-fluorophenyl)-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-thiazolidin-4-one (PubChem CID 155924372) has the molecular formula C17H9ClF4N2OS2 and a molecular weight of 432.85 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 2-(2-chloro-6-fluorophenyl)-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-thiazolidin-4-one
• PubChem CID: 155924372
• Molecular Formula: C17H9ClF4N2OS2
• Molecular Weight: 432.85 g/mol
• Exact Mass: 431.98
• IUPAC Name: 2-(2-chloro-6-fluorophenyl)-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-thiazolidin-4-one
• SMILES: O=C1CSC(c2c(F)cccc2Cl)N1c1nc2ccc(C(F)(F)F)cc2s1
• InChI: InChI=1S/C17H9ClF4N2OS2/c18-9-2-1-3-10(19)14(9)15-24(13(25)7-26-15)16-23-11-5-4-8(17(20,21)22)6-12(11)27-16/h1-6,15H,7H2
• InChIKey: RWVWDMCJJUARGB-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 33.20 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.85
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-thiazolidin-4-one?

The IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-thiazolidin-4-one (CID 155924372) is 2-(2-chloro-6-fluorophenyl)-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-thiazolidin-4-one.

What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-thiazolidin-4-one?

The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-thiazolidin-4-one is O=C1CSC(c2c(F)cccc2Cl)N1c1nc2ccc(C(F)(F)F)cc2s1.

What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-thiazolidin-4-one?

The InChIKey is RWVWDMCJJUARGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF4N2OS2/c18-9-2-1-3-10(19)14(9)15-24(13(25)7-26-15)16-23-11-5-4-8(17(20,21)22)6-12(11)27-16/h1-6,15H,7H2.

What are the key properties of 2-(2-chloro-6-fluorophenyl)-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-thiazolidin-4-one?

2-(2-chloro-6-fluorophenyl)-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-thiazolidin-4-one has a molecular weight of 432.85 g/mol, XLogP of 5.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chloro-6-fluorophenyl)-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 155924372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).