3-butanoyl-N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide

C22H25FN2O2S — CID 4272660

IUPAC3-butanoyl-N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
SMILESCCCC(=O)N1C(C(=O)Nc2ccc(C)c(C)c2)CSC1c1cccc(F)c1
InChIInChI=1S/C22H25FN2O2S/c1-4-6-20(26)25-19(13-28-22(25)16-7-5-8-17(23)12-16)21(27)24-18-10-9-14(2)15(3)11-18/h5,7-12,19,22H,4,6,13H2,1-3H3,(H,24,27)
InChIKeyUVGZPPPANZCHDQ-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.82
Rot. Bonds5

About 3-butanoyl-N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide

3-butanoyl-N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 4272660) has the molecular formula C22H25FN2O2S and a molecular weight of 400.52 g/mol. Its IUPAC name is 3-butanoyl-N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-butanoyl-N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID4272660
Molecular FormulaC22H25FN2O2S
Molecular Weight400.52 g/mol
Exact Mass400.16
IUPAC Name3-butanoyl-N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
SMILESCCCC(=O)N1C(C(=O)Nc2ccc(C)c(C)c2)CSC1c1cccc(F)c1
InChIInChI=1S/C22H25FN2O2S/c1-4-6-20(26)25-19(13-28-22(25)16-7-5-8-17(23)12-16)21(27)24-18-10-9-14(2)15(3)11-18/h5,7-12,19,22H,4,6,13H2,1-3H3,(H,24,27)
InChIKeyUVGZPPPANZCHDQ-UHFFFAOYSA-N
XLogP4.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-butanoyl-N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide 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

(2S,4R)-3-butanoyl-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxylate
CID 6945941
3-butanoyl-2-(3-fluorophenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42748586
3-butanoyl-2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42748568
(2R,4R)-3-butanoyl-2-(3-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 6961863
N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 42748553
3-acetyl-2-(3-fluorophenyl)-N-hexyl-1,3-thiazolidine-4-carboxamide
CID 4542958
(2S,4S)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 7362578
(2S,4R)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 7362577
(2S,4R)-N-butyl-2-(3-fluorophenyl)-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 7337817
2-(3-fluorophenyl)-3-propanoyl-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42748564
(2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 7288424
3-benzoyl-N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 3335889

Frequently Asked Questions

What is the IUPAC name of 3-butanoyl-N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-butanoyl-N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide (CID 4272660) is 3-butanoyl-N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-butanoyl-N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-butanoyl-N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide is CCCC(=O)N1C(C(=O)Nc2ccc(C)c(C)c2)CSC1c1cccc(F)c1.
What is the InChIKey of 3-butanoyl-N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is UVGZPPPANZCHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2S/c1-4-6-20(26)25-19(13-28-22(25)16-7-5-8-17(23)12-16)21(27)24-18-10-9-14(2)15(3)11-18/h5,7-12,19,22H,4,6,13H2,1-3H3,(H,24,27).
What are the key properties of 3-butanoyl-N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
3-butanoyl-N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butanoyl-N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 4272660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).