2-imino-3-[5-methyl-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

C11H9F3N2OS — CID 126644106

IUPAC2-imino-3-[5-methyl-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1cc(C)ccc1C(F)(F)F
InChIInChI=1S/C11H9F3N2OS/c1-6-2-3-7(11(12,13)14)8(4-6)16-9(17)5-18-10(16)15/h2-4,15H,5H2,1H3/b15-10-
InChIKeyMNMLGSBPFVKUOS-GDNBJRDFSA-N
MW274.27 g/mol
LogP3.03
Rot. Bonds1

About 2-imino-3-[5-methyl-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

2-imino-3-[5-methyl-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 126644106) has the molecular formula C11H9F3N2OS and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-imino-3-[5-methyl-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-3-[5-methyl-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID126644106
Molecular FormulaC11H9F3N2OS
Molecular Weight274.27 g/mol
Exact Mass274.04
IUPAC Name2-imino-3-[5-methyl-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1cc(C)ccc1C(F)(F)F
InChIInChI=1S/C11H9F3N2OS/c1-6-2-3-7(11(12,13)14)8(4-6)16-9(17)5-18-10(16)15/h2-4,15H,5H2,1H3/b15-10-
InChIKeyMNMLGSBPFVKUOS-GDNBJRDFSA-N
XLogP3.03
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.03
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-imino-3-[5-methyl-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-3-[5-methyl-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 126644106) is 2-imino-3-[5-methyl-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-3-[5-methyl-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-3-[5-methyl-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is [H]/N=C1\SCC(=O)N1c1cc(C)ccc1C(F)(F)F.
What is the InChIKey of 2-imino-3-[5-methyl-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is MNMLGSBPFVKUOS-GDNBJRDFSA-N. The full InChI is InChI=1S/C11H9F3N2OS/c1-6-2-3-7(11(12,13)14)8(4-6)16-9(17)5-18-10(16)15/h2-4,15H,5H2,1H3/b15-10-.
What are the key properties of 2-imino-3-[5-methyl-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
2-imino-3-[5-methyl-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 274.27 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-[5-methyl-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 126644106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).