5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]methyl]-1,3-thiazolidine-2,4-dione

C17H12ClF3N2O3S — CID 46216676

IUPAC5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1cc(Oc2ncc(C(F)(F)F)cc2Cl)ccc1CC1SC(=O)NC1=O
InChIInChI=1S/C17H12ClF3N2O3S/c1-8-4-11(3-2-9(8)5-13-14(24)23-16(25)27-13)26-15-12(18)6-10(7-22-15)17(19,20)21/h2-4,6-7,13H,5H2,1H3,(H,23,24,25)
InChIKeyZAMASFSDWVSMSY-UHFFFAOYSA-N
MW416.81 g/mol
LogP4.75
Rot. Bonds4

About 5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 46216676) has the molecular formula C17H12ClF3N2O3S and a molecular weight of 416.81 g/mol. Its IUPAC name is 5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID46216676
Molecular FormulaC17H12ClF3N2O3S
Molecular Weight416.81 g/mol
Exact Mass416.02
IUPAC Name5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1cc(Oc2ncc(C(F)(F)F)cc2Cl)ccc1CC1SC(=O)NC1=O
InChIInChI=1S/C17H12ClF3N2O3S/c1-8-4-11(3-2-9(8)5-13-14(24)23-16(25)27-13)26-15-12(18)6-10(7-22-15)17(19,20)21/h2-4,6-7,13H,5H2,1H3,(H,23,24,25)
InChIKeyZAMASFSDWVSMSY-UHFFFAOYSA-N
XLogP4.75
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.81
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 91934039
1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
CID 2735828
5-[[2-ethoxy-4-[2-(hydroxymethyl)-4-(trifluoromethyl)phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 143273981
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methoxyphenyl]methyl hypoiodite
CID 162586671
2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 176902739
2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide
CID 173117551
3-chloro-2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine
CID 56627403
9-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-ethylphenyl]-3-oxaspiro[5.5]undecane-8,10-dione
CID 90759948
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] carbonochloridate
CID 22047691
(1R,5S)-3-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-ethylphenyl]-4-hydroxy-5,8,8-trimethylbicyclo[3.2.1]oct-3-en-2-one
CID 58061053
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] propaneperoxoate
CID 22070374
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methanol
CID 68552856

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 46216676) is 5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]methyl]-1,3-thiazolidine-2,4-dione is Cc1cc(Oc2ncc(C(F)(F)F)cc2Cl)ccc1CC1SC(=O)NC1=O.
What is the InChIKey of 5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is ZAMASFSDWVSMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O3S/c1-8-4-11(3-2-9(8)5-13-14(24)23-16(25)27-13)26-15-12(18)6-10(7-22-15)17(19,20)21/h2-4,6-7,13H,5H2,1H3,(H,23,24,25).
What are the key properties of 5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 416.81 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 46216676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).