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

C15H15F5N2O2S2 — CID 161004945

IUPAC2-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imino-3-(2-fluoropropyl)-1,3-thiazolidin-4-one
SMILESCc1cc(F)c(/N=C2\SCC(=O)N2CC(C)F)cc1S(=O)CC(F)(F)F
InChIInChI=1S/C15H15F5N2O2S2/c1-8-3-10(17)11(4-12(8)26(24)7-15(18,19)20)21-14-22(5-9(2)16)13(23)6-25-14/h3-4,9H,5-7H2,1-2H3/b21-14-
InChIKeyLNNRXPSLXCVIGA-STZFKDTASA-N
MW414.42 g/mol
LogP3.72
Rot. Bonds5

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

2-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imino-3-(2-fluoropropyl)-1,3-thiazolidin-4-one (PubChem CID 161004945) has the molecular formula C15H15F5N2O2S2 and a molecular weight of 414.42 g/mol. Its IUPAC name is 2-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imino-3-(2-fluoropropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imino-3-(2-fluoropropyl)-1,3-thiazolidin-4-one
PubChem CID161004945
Molecular FormulaC15H15F5N2O2S2
Molecular Weight414.42 g/mol
Exact Mass414.05
IUPAC Name2-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imino-3-(2-fluoropropyl)-1,3-thiazolidin-4-one
SMILESCc1cc(F)c(/N=C2\SCC(=O)N2CC(C)F)cc1S(=O)CC(F)(F)F
InChIInChI=1S/C15H15F5N2O2S2/c1-8-3-10(17)11(4-12(8)26(24)7-15(18,19)20)21-14-22(5-9(2)16)13(23)6-25-14/h3-4,9H,5-7H2,1-2H3/b21-14-
InChIKeyLNNRXPSLXCVIGA-STZFKDTASA-N
XLogP3.72
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-imine
CID 89650212
2-[2-Fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imino-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
CID 89650759
N-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfanyl)phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-imine
CID 89650792
N-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfanyl)phenyl]-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-imine
CID 89651824
3-Cyclopropyl-2-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfanyl)phenyl]imino-1,3-thiazolidin-4-one
CID 89659684
N-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-2-imine
CID 89659707
Sulfiflumin (bcs-CW64991)
CID 89659709
2-[2-fluoro-4-methyl-5-[(S)-2,2,2-trifluoroethylsulfinyl]phenyl]imino-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
CID 89659711
4-(1-chlorocyclopropyl)-N-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-3-(2,2,2-trifluoroethyl)-1,3-thiazol-2-imine
CID 89659712
N-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-3,4-dimethyl-1,2,4-thiadiazol-5-imine
CID 89659714
3-(2,2-Difluoroethyl)-2-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imino-1,3-thiazolidin-4-one
CID 89659781
2-[2-Fluoro-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imino-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
CID 89659782

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imino-3-(2-fluoropropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imino-3-(2-fluoropropyl)-1,3-thiazolidin-4-one (CID 161004945) is 2-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imino-3-(2-fluoropropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imino-3-(2-fluoropropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imino-3-(2-fluoropropyl)-1,3-thiazolidin-4-one is Cc1cc(F)c(/N=C2\SCC(=O)N2CC(C)F)cc1S(=O)CC(F)(F)F.
What is the InChIKey of 2-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imino-3-(2-fluoropropyl)-1,3-thiazolidin-4-one?
The InChIKey is LNNRXPSLXCVIGA-STZFKDTASA-N. The full InChI is InChI=1S/C15H15F5N2O2S2/c1-8-3-10(17)11(4-12(8)26(24)7-15(18,19)20)21-14-22(5-9(2)16)13(23)6-25-14/h3-4,9H,5-7H2,1-2H3/b21-14-.
What are the key properties of 2-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imino-3-(2-fluoropropyl)-1,3-thiazolidin-4-one?
2-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imino-3-(2-fluoropropyl)-1,3-thiazolidin-4-one has a molecular weight of 414.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imino-3-(2-fluoropropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 161004945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).