2-(4-chlorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-1,3-thiazolidin-4-one

C17H10ClF3N2O2S2 — CID 155924706

About 2-(4-chlorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-1,3-thiazolidin-4-one

2-(4-chlorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-1,3-thiazolidin-4-one (PubChem CID 155924706) has the molecular formula C17H10ClF3N2O2S2 and a molecular weight of 430.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-1,3-thiazolidin-4-one
• PubChem CID: 155924706
• Molecular Formula: C17H10ClF3N2O2S2
• Molecular Weight: 430.86 g/mol
• Exact Mass: 429.98
• IUPAC Name: 2-(4-chlorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-1,3-thiazolidin-4-one
• SMILES: O=C1CSC(c2ccc(Cl)cc2)N1c1nc2ccc(OC(F)(F)F)cc2s1
• InChI: InChI=1S/C17H10ClF3N2O2S2/c18-10-3-1-9(2-4-10)15-23(14(24)8-26-15)16-22-12-6-5-11(7-13(12)27-16)25-17(19,20)21/h1-7,15H,8H2
• InChIKey: AAPGJDKAKFNSHE-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 42.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.86
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(4-chlorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-1,3-thiazolidin-4-one (CID 155924706) is 2-(4-chlorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-1,3-thiazolidin-4-one.

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

The canonical SMILES for 2-(4-chlorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(Cl)cc2)N1c1nc2ccc(OC(F)(F)F)cc2s1.

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

The InChIKey is AAPGJDKAKFNSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N2O2S2/c18-10-3-1-9(2-4-10)15-23(14(24)8-26-15)16-22-12-6-5-11(7-13(12)27-16)25-17(19,20)21/h1-7,15H,8H2.

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

2-(4-chlorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-1,3-thiazolidin-4-one has a molecular weight of 430.86 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 155924706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).