3,5,5-trimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]hexan-1-one

C19H26F3NOS — CID 4258928

About 3,5,5-trimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]hexan-1-one

3,5,5-trimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]hexan-1-one (PubChem CID 4258928) has the molecular formula C19H26F3NOS and a molecular weight of 373.48 g/mol. Its IUPAC name is 3,5,5-trimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]hexan-1-one.

Molecular Properties

• Compound Name: 3,5,5-trimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]hexan-1-one
• PubChem CID: 4258928
• Molecular Formula: C19H26F3NOS
• Molecular Weight: 373.48 g/mol
• Exact Mass: 373.17
• IUPAC Name: 3,5,5-trimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]hexan-1-one
• SMILES: CC(CC(=O)N1CCSC1c1ccc(C(F)(F)F)cc1)CC(C)(C)C
• InChI: InChI=1S/C19H26F3NOS/c1-13(12-18(2,3)4)11-16(24)23-9-10-25-17(23)14-5-7-15(8-6-14)19(20,21)22/h5-8,13,17H,9-12H2,1-4H3
• InChIKey: JOMBRBMVYZKBQR-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 20.31 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	373.48
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]hexan-1-one?

The IUPAC name of 3,5,5-trimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]hexan-1-one (CID 4258928) is 3,5,5-trimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]hexan-1-one.

What is the SMILES notation for 3,5,5-trimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]hexan-1-one?

The canonical SMILES for 3,5,5-trimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]hexan-1-one is CC(CC(=O)N1CCSC1c1ccc(C(F)(F)F)cc1)CC(C)(C)C.

What is the InChIKey of 3,5,5-trimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]hexan-1-one?

The InChIKey is JOMBRBMVYZKBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3NOS/c1-13(12-18(2,3)4)11-16(24)23-9-10-25-17(23)14-5-7-15(8-6-14)19(20,21)22/h5-8,13,17H,9-12H2,1-4H3.

What are the key properties of 3,5,5-trimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]hexan-1-one?

3,5,5-trimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]hexan-1-one has a molecular weight of 373.48 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5,5-trimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]hexan-1-one is sourced from PubChem (CID 4258928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).