N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide

C19H13F9N2OS — CID 4284700

About N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide (PubChem CID 4284700) has the molecular formula C19H13F9N2OS and a molecular weight of 488.38 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
• PubChem CID: 4284700
• Molecular Formula: C19H13F9N2OS
• Molecular Weight: 488.38 g/mol
• Exact Mass: 488.06
• IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
• SMILES: O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCSC1c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C19H13F9N2OS/c20-17(21,22)11-3-1-2-10(6-11)15-30(4-5-32-15)16(31)29-14-8-12(18(23,24)25)7-13(9-14)19(26,27)28/h1-3,6-9,15H,4-5H2,(H,29,31)
• InChIKey: YGNSORXKJMUZDU-UHFFFAOYSA-N
• XLogP: 7.02
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.38
LogP ≤ 5	7.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?

The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide (CID 4284700) is N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide.

What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?

The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCSC1c1cccc(C(F)(F)F)c1.

What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?

The InChIKey is YGNSORXKJMUZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F9N2OS/c20-17(21,22)11-3-1-2-10(6-11)15-30(4-5-32-15)16(31)29-14-8-12(18(23,24)25)7-13(9-14)19(26,27)28/h1-3,6-9,15H,4-5H2,(H,29,31).

What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?

N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide has a molecular weight of 488.38 g/mol, XLogP of 7.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 4284700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).