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

C10H7F3N2OS — CID 135448709

IUPAC2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C10H7F3N2OS/c11-10(12,13)6-2-1-3-7(4-6)14-9-15-8(16)5-17-9/h1-4H,5H2,(H,14,15,16)
InChIKeyCRWZRQBAORPLIN-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.56
Rot. Bonds1

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

2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (PubChem CID 135448709) has the molecular formula C10H7F3N2OS and a molecular weight of 260.24 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
PubChem CID135448709
Molecular FormulaC10H7F3N2OS
Molecular Weight260.24 g/mol
Exact Mass260.02
IUPAC Name2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C10H7F3N2OS/c11-10(12,13)6-2-1-3-7(4-6)14-9-15-8(16)5-17-9/h1-4H,5H2,(H,14,15,16)
InChIKeyCRWZRQBAORPLIN-UHFFFAOYSA-N
XLogP2.56
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
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 2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (CID 135448709) is 2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2cccc(C(F)(F)F)c2)N1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The InChIKey is CRWZRQBAORPLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2OS/c11-10(12,13)6-2-1-3-7(4-6)14-9-15-8(16)5-17-9/h1-4H,5H2,(H,14,15,16).
What are the key properties of 2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one has a molecular weight of 260.24 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135448709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).