3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide

C19H17F3N2O2S — CID 55509767

IUPAC3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CSCN2C(=O)c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C19H17F3N2O2S/c1-12-7-8-14(9-15(12)19(20,21)22)23-17(25)16-10-27-11-24(16)18(26)13-5-3-2-4-6-13/h2-9,16H,10-11H2,1H3,(H,23,25)
InChIKeyCXFGGKCJHPMORX-UHFFFAOYSA-N
MW394.42 g/mol
LogP4.17
Rot. Bonds3

About 3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide

3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 55509767) has the molecular formula C19H17F3N2O2S and a molecular weight of 394.42 g/mol. Its IUPAC name is 3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID55509767
Molecular FormulaC19H17F3N2O2S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC Name3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CSCN2C(=O)c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C19H17F3N2O2S/c1-12-7-8-14(9-15(12)19(20,21)22)23-17(25)16-10-27-11-24(16)18(26)13-5-3-2-4-6-13/h2-9,16H,10-11H2,1H3,(H,23,25)
InChIKeyCXFGGKCJHPMORX-UHFFFAOYSA-N
XLogP4.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzoyl-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 3548133
(4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 97310871
(4S)-N-(3,4-dimethylphenyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 95158596
(4R)-3-benzoyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 55940328
3-benzoyl-N-dibenzofuran-3-yl-1,3-thiazolidine-4-carboxamide
CID 55796095
(4R)-3-benzoyl-N-(3-nitrophenyl)-1,3-thiazolidine-4-carboxamide
CID 71889011
3-benzoyl-N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55515650
3-benzoyl-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-1,3-thiazolidine-4-carboxamide
CID 55620356
(4R)-3-benzoyl-N-[4-(tetrazol-1-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55941327
(4R)-3-benzoyl-N-[4-(dimethylamino)-2-methylphenyl]-1,3-thiazolidine-4-carboxamide
CID 55940652
(4R)-3-benzoyl-N-[4-(diethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55942502
(4S)-3-benzoyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 94096788

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide (CID 55509767) is 3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide is Cc1ccc(NC(=O)C2CSCN2C(=O)c2ccccc2)cc1C(F)(F)F.
What is the InChIKey of 3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is CXFGGKCJHPMORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2S/c1-12-7-8-14(9-15(12)19(20,21)22)23-17(25)16-10-27-11-24(16)18(26)13-5-3-2-4-6-13/h2-9,16H,10-11H2,1H3,(H,23,25).
What are the key properties of 3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide?
3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 394.42 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 55509767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).