methyl 2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate

C19H15F4NO3S — CID 42727904

IUPACmethyl 2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSC(c2ccc(F)cc2)N1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H15F4NO3S/c1-27-18(26)15-10-28-17(11-5-7-14(20)8-6-11)24(15)16(25)12-3-2-4-13(9-12)19(21,22)23/h2-9,15,17H,10H2,1H3
InChIKeyABZXNIPALUVTSS-UHFFFAOYSA-N
MW413.39 g/mol
LogP4.27
Rot. Bonds3

About methyl 2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate

methyl 2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate (PubChem CID 42727904) has the molecular formula C19H15F4NO3S and a molecular weight of 413.39 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate
PubChem CID42727904
Molecular FormulaC19H15F4NO3S
Molecular Weight413.39 g/mol
Exact Mass413.07
IUPAC Namemethyl 2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSC(c2ccc(F)cc2)N1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H15F4NO3S/c1-27-18(26)15-10-28-17(11-5-7-14(20)8-6-11)24(15)16(25)12-3-2-4-13(9-12)19(21,22)23/h2-9,15,17H,10H2,1H3
InChIKeyABZXNIPALUVTSS-UHFFFAOYSA-N
XLogP4.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid
CID 42727751
methyl 3-benzoyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylate
CID 42729596
methyl 2-(2-chlorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate
CID 42728775
ethyl 2-phenyl-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate
CID 42728521
methyl 2-(3,4-dichlorophenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42729205
methyl 2-(3-chlorophenyl)-3-(3,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42728012
(2S,4S)-3-benzoyl-N-benzyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 93097515
methyl (2S,4R)-2-(4-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate
CID 1477729
ethyl 2-(4-chlorophenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42727802
methyl 3-(3-fluorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
CID 42729361
2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 5226971
N-(4-fluorophenyl)-2-phenyl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 3394328

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate (CID 42727904) is methyl 2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate is COC(=O)C1CSC(c2ccc(F)cc2)N1C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate?
The InChIKey is ABZXNIPALUVTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4NO3S/c1-27-18(26)15-10-28-17(11-5-7-14(20)8-6-11)24(15)16(25)12-3-2-4-13(9-12)19(21,22)23/h2-9,15,17H,10H2,1H3.
What are the key properties of methyl 2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate?
methyl 2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate has a molecular weight of 413.39 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 42727904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).