3-benzoyl-N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide

C17H14F2N2O2S — CID 51330773

IUPAC3-benzoyl-N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C17H14F2N2O2S/c18-12-6-7-14(13(19)8-12)20-16(22)15-9-24-10-21(15)17(23)11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H,20,22)
InChIKeyDBPGJGUVJRCIBO-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.12
Rot. Bonds3

About 3-benzoyl-N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide

3-benzoyl-N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 51330773) has the molecular formula C17H14F2N2O2S and a molecular weight of 348.37 g/mol. Its IUPAC name is 3-benzoyl-N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-benzoyl-N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID51330773
Molecular FormulaC17H14F2N2O2S
Molecular Weight348.37 g/mol
Exact Mass348.07
IUPAC Name3-benzoyl-N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C17H14F2N2O2S/c18-12-6-7-14(13(19)8-12)20-16(22)15-9-24-10-21(15)17(23)11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H,20,22)
InChIKeyDBPGJGUVJRCIBO-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.12
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
(4R)-3-benzoyl-N-(2,5-dichlorophenyl)-1,3-thiazolidine-4-carboxamide
CID 52716357
3-(4-tert-butylbenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 42745326
(4R)-3-(3-cyanobenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 95236593
3-(3,5-dimethoxybenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 42745754
(4R)-3-benzoyl-N-[4-(dimethylamino)-2-methylphenyl]-1,3-thiazolidine-4-carboxamide
CID 55940652
(4R)-3-[2-(2,4-difluorophenoxy)acetyl]-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 95159673
(4R)-3-benzoyl-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1,3-thiazolidine-4-carboxamide
CID 94609089
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
(4R)-3-benzoyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide
CID 52716359
(4R)-3-benzoyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 55942505

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-benzoyl-N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide (CID 51330773) is 3-benzoyl-N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-benzoyl-N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-benzoyl-N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide is O=C(Nc1ccc(F)cc1F)C1CSCN1C(=O)c1ccccc1.
What is the InChIKey of 3-benzoyl-N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is DBPGJGUVJRCIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2S/c18-12-6-7-14(13(19)8-12)20-16(22)15-9-24-10-21(15)17(23)11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H,20,22).
What are the key properties of 3-benzoyl-N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide?
3-benzoyl-N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 51330773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).