3-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one

C16H10F4N2OS — CID 134815214

IUPAC3-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2cccc(C(F)(F)F)c2)N1c1ccccc1F
InChIInChI=1S/C16H10F4N2OS/c17-12-6-1-2-7-13(12)22-14(23)9-24-15(22)21-11-5-3-4-10(8-11)16(18,19)20/h1-8H,9H2/b21-15-
InChIKeyTUPLVBRSWXZWGT-QNGOZBTKSA-N
MW354.33 g/mol
LogP4.61
Rot. Bonds2

About 3-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one

3-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (PubChem CID 134815214) has the molecular formula C16H10F4N2OS and a molecular weight of 354.33 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
PubChem CID134815214
Molecular FormulaC16H10F4N2OS
Molecular Weight354.33 g/mol
Exact Mass354.04
IUPAC Name3-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2cccc(C(F)(F)F)c2)N1c1ccccc1F
InChIInChI=1S/C16H10F4N2OS/c17-12-6-1-2-7-13(12)22-14(23)9-24-15(22)21-11-5-3-4-10(8-11)16(18,19)20/h1-8H,9H2/b21-15-
InChIKeyTUPLVBRSWXZWGT-QNGOZBTKSA-N
XLogP4.61
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (CID 134815214) is 3-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2cccc(C(F)(F)F)c2)N1c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The InChIKey is TUPLVBRSWXZWGT-QNGOZBTKSA-N. The full InChI is InChI=1S/C16H10F4N2OS/c17-12-6-1-2-7-13(12)22-14(23)9-24-15(22)21-11-5-3-4-10(8-11)16(18,19)20/h1-8H,9H2/b21-15-.
What are the key properties of 3-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
3-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one has a molecular weight of 354.33 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 134815214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).