N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]thiophene-2-carboxamide

C21H15F3N2O2S2 — CID 93126905

About N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]thiophene-2-carboxamide

N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]thiophene-2-carboxamide (PubChem CID 93126905) has the molecular formula C21H15F3N2O2S2 and a molecular weight of 448.49 g/mol. Its IUPAC name is N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]thiophene-2-carboxamide
• PubChem CID: 93126905
• Molecular Formula: C21H15F3N2O2S2
• Molecular Weight: 448.49 g/mol
• Exact Mass: 448.05
• IUPAC Name: N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]thiophene-2-carboxamide
• SMILES: O=C(Nc1ccc([C@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)cc1)c1cccs1
• InChI: InChI=1S/C21H15F3N2O2S2/c22-21(23,24)14-5-9-16(10-6-14)26-18(27)12-30-20(26)13-3-7-15(8-4-13)25-19(28)17-2-1-11-29-17/h1-11,20H,12H2,(H,25,28)/t20-/m1/s1
• InChIKey: PXUYYKKFBCUDRC-HXUWFJFHSA-N
• XLogP: 5.80
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.49
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]thiophene-2-carboxamide?

The IUPAC name of N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]thiophene-2-carboxamide (CID 93126905) is N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]thiophene-2-carboxamide?

The canonical SMILES for N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccc([C@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)cc1)c1cccs1.

What is the InChIKey of N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]thiophene-2-carboxamide?

The InChIKey is PXUYYKKFBCUDRC-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H15F3N2O2S2/c22-21(23,24)14-5-9-16(10-6-14)26-18(27)12-30-20(26)13-3-7-15(8-4-13)25-19(28)17-2-1-11-29-17/h1-11,20H,12H2,(H,25,28)/t20-/m1/s1.

What are the key properties of N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]thiophene-2-carboxamide?

N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 448.49 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 93126905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).