3-(2-methylphenyl)-5-[3-(trifluoromethyl)anilino]-1,3-thiazolidine-2,4-dione

C17H13F3N2O2S — CID 4735951

IUPAC3-(2-methylphenyl)-5-[3-(trifluoromethyl)anilino]-1,3-thiazolidine-2,4-dione
SMILESCc1ccccc1N1C(=O)SC(Nc2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C17H13F3N2O2S/c1-10-5-2-3-8-13(10)22-15(23)14(25-16(22)24)21-12-7-4-6-11(9-12)17(18,19)20/h2-9,14,21H,1H3
InChIKeyBAXFGVZZPFMQSR-UHFFFAOYSA-N
MW366.36 g/mol
LogP4.65
Rot. Bonds3

About 3-(2-methylphenyl)-5-[3-(trifluoromethyl)anilino]-1,3-thiazolidine-2,4-dione

3-(2-methylphenyl)-5-[3-(trifluoromethyl)anilino]-1,3-thiazolidine-2,4-dione (PubChem CID 4735951) has the molecular formula C17H13F3N2O2S and a molecular weight of 366.36 g/mol. Its IUPAC name is 3-(2-methylphenyl)-5-[3-(trifluoromethyl)anilino]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-methylphenyl)-5-[3-(trifluoromethyl)anilino]-1,3-thiazolidine-2,4-dione
PubChem CID4735951
Molecular FormulaC17H13F3N2O2S
Molecular Weight366.36 g/mol
Exact Mass366.06
IUPAC Name3-(2-methylphenyl)-5-[3-(trifluoromethyl)anilino]-1,3-thiazolidine-2,4-dione
SMILESCc1ccccc1N1C(=O)SC(Nc2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C17H13F3N2O2S/c1-10-5-2-3-8-13(10)22-15(23)14(25-16(22)24)21-12-7-4-6-11(9-12)17(18,19)20/h2-9,14,21H,1H3
InChIKeyBAXFGVZZPFMQSR-UHFFFAOYSA-N
XLogP4.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-phenyl-2-sulfanylidene-5-[3-(trifluoromethyl)anilino]-1,3-thiazolidin-4-one
CID 41121239
N-[4-[[(5R)-3-(2-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]phenyl]acetamide
CID 2000798
3-chloro-1-(2-methylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 1186087
(5S)-3-(4-fluorophenyl)-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione
CID 42415968
5-(2-methylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione
CID 3446219
(3R)-1-(2-chlorophenyl)-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione
CID 2112714
N-[2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-yl]-3-(trifluoromethyl)aniline
CID 50812558
5-anilino-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 3107998
5-(2,5-dimethylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione
CID 3446223
5-(4-fluoroanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione
CID 3446267
3-chloro-1-(2,3-dimethylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 1033899
5-(3,5-dichloroanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione
CID 3446274

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-5-[3-(trifluoromethyl)anilino]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(2-methylphenyl)-5-[3-(trifluoromethyl)anilino]-1,3-thiazolidine-2,4-dione (CID 4735951) is 3-(2-methylphenyl)-5-[3-(trifluoromethyl)anilino]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(2-methylphenyl)-5-[3-(trifluoromethyl)anilino]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(2-methylphenyl)-5-[3-(trifluoromethyl)anilino]-1,3-thiazolidine-2,4-dione is Cc1ccccc1N1C(=O)SC(Nc2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 3-(2-methylphenyl)-5-[3-(trifluoromethyl)anilino]-1,3-thiazolidine-2,4-dione?
The InChIKey is BAXFGVZZPFMQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2S/c1-10-5-2-3-8-13(10)22-15(23)14(25-16(22)24)21-12-7-4-6-11(9-12)17(18,19)20/h2-9,14,21H,1H3.
What are the key properties of 3-(2-methylphenyl)-5-[3-(trifluoromethyl)anilino]-1,3-thiazolidine-2,4-dione?
3-(2-methylphenyl)-5-[3-(trifluoromethyl)anilino]-1,3-thiazolidine-2,4-dione has a molecular weight of 366.36 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-5-[3-(trifluoromethyl)anilino]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 4735951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).