1-(2-acetyl-1,3-thiazolidin-3-yl)-3-amino-4-(2,4-difluorophenyl)butan-1-one

C15H18F2N2O2S — CID 143724052

IUPAC1-(2-acetyl-1,3-thiazolidin-3-yl)-3-amino-4-(2,4-difluorophenyl)butan-1-one
SMILESCC(=O)C1SCCN1C(=O)CC(N)Cc1ccc(F)cc1F
InChIInChI=1S/C15H18F2N2O2S/c1-9(20)15-19(4-5-22-15)14(21)8-12(18)6-10-2-3-11(16)7-13(10)17/h2-3,7,12,15H,4-6,8,18H2,1H3
InChIKeyWFDAMCCRYAJWAR-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.72
Rot. Bonds5

About 1-(2-acetyl-1,3-thiazolidin-3-yl)-3-amino-4-(2,4-difluorophenyl)butan-1-one

1-(2-acetyl-1,3-thiazolidin-3-yl)-3-amino-4-(2,4-difluorophenyl)butan-1-one (PubChem CID 143724052) has the molecular formula C15H18F2N2O2S and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-(2-acetyl-1,3-thiazolidin-3-yl)-3-amino-4-(2,4-difluorophenyl)butan-1-one.

Molecular Properties

Compound Name1-(2-acetyl-1,3-thiazolidin-3-yl)-3-amino-4-(2,4-difluorophenyl)butan-1-one
PubChem CID143724052
Molecular FormulaC15H18F2N2O2S
Molecular Weight328.38 g/mol
Exact Mass328.11
IUPAC Name1-(2-acetyl-1,3-thiazolidin-3-yl)-3-amino-4-(2,4-difluorophenyl)butan-1-one
SMILESCC(=O)C1SCCN1C(=O)CC(N)Cc1ccc(F)cc1F
InChIInChI=1S/C15H18F2N2O2S/c1-9(20)15-19(4-5-22-15)14(21)8-12(18)6-10-2-3-11(16)7-13(10)17/h2-3,7,12,15H,4-6,8,18H2,1H3
InChIKeyWFDAMCCRYAJWAR-UHFFFAOYSA-N
XLogP1.72
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-acetyl-1,3-thiazolidin-3-yl)-3-amino-4-(2,4-difluorophenyl)butan-1-one 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

1-(2-acetyl-1,3-thiazolidin-3-yl)-3-amino-4-(2,5-difluoro-4-methylphenyl)butan-1-one;S-(4-ethylphenyl)thiohydroxylamine
CID 143724129
1-(2-acetyl-1,3-thiazolidin-3-yl)-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one;2-(4-ethylphenoxy)propanoic acid
CID 143724027
3-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-2-carboxamide
CID 143723966
2-[4-[[[3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-thiazolidine-2-carbonyl]amino]methyl]-3-fluorophenoxy]-3-methylbutanoic acid
CID 25055061
2-[[3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-thiazolidine-2-carbonyl]amino]-3-methylbutanoic acid;hydrochloride
CID 67055194
2-[4-[[[3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-thiazolidine-2-carbonyl]amino]methyl]-3-fluorophenoxy]-2-methylpropanoic acid
CID 25054015
3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-(furan-3-ylmethyl)-1,3-thiazolidine-2-carboxamide
CID 25057648
4-[[[(2S)-3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-thiazolidine-2-carbonyl]amino]methyl]benzoic acid;hydrochloride
CID 162326025
3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-(4-sulfamoylphenyl)-1,3-thiazolidine-2-carboxamide;hydrochloride
CID 25057657
(3R)-3-amino-1-(3-amino-2-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2,4-difluorophenyl)butan-1-one
CID 140514400
(2S)-3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-[[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]phenyl]methyl]-1,3-thiazolidine-2-carboxamide
CID 57498652
ethyl 2-[4-[[[(2R)-3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-thiazolidine-2-carbonyl]amino]methyl]anilino]acetate
CID 143724101

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-1,3-thiazolidin-3-yl)-3-amino-4-(2,4-difluorophenyl)butan-1-one?
The IUPAC name of 1-(2-acetyl-1,3-thiazolidin-3-yl)-3-amino-4-(2,4-difluorophenyl)butan-1-one (CID 143724052) is 1-(2-acetyl-1,3-thiazolidin-3-yl)-3-amino-4-(2,4-difluorophenyl)butan-1-one.
What is the SMILES notation for 1-(2-acetyl-1,3-thiazolidin-3-yl)-3-amino-4-(2,4-difluorophenyl)butan-1-one?
The canonical SMILES for 1-(2-acetyl-1,3-thiazolidin-3-yl)-3-amino-4-(2,4-difluorophenyl)butan-1-one is CC(=O)C1SCCN1C(=O)CC(N)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2-acetyl-1,3-thiazolidin-3-yl)-3-amino-4-(2,4-difluorophenyl)butan-1-one?
The InChIKey is WFDAMCCRYAJWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2S/c1-9(20)15-19(4-5-22-15)14(21)8-12(18)6-10-2-3-11(16)7-13(10)17/h2-3,7,12,15H,4-6,8,18H2,1H3.
What are the key properties of 1-(2-acetyl-1,3-thiazolidin-3-yl)-3-amino-4-(2,4-difluorophenyl)butan-1-one?
1-(2-acetyl-1,3-thiazolidin-3-yl)-3-amino-4-(2,4-difluorophenyl)butan-1-one has a molecular weight of 328.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyl-1,3-thiazolidin-3-yl)-3-amino-4-(2,4-difluorophenyl)butan-1-one is sourced from PubChem (CID 143724052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).