2-(3-aminophenyl)-3-(3-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one

C16H15FN2OS — CID 24716037

IUPAC2-(3-aminophenyl)-3-(3-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1c(F)cccc1N1C(=O)CSC1c1cccc(N)c1
InChIInChI=1S/C16H15FN2OS/c1-10-13(17)6-3-7-14(10)19-15(20)9-21-16(19)11-4-2-5-12(18)8-11/h2-8,16H,9,18H2,1H3
InChIKeyPUOMKWCTEPIOHO-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.49
Rot. Bonds2

About 2-(3-aminophenyl)-3-(3-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one

2-(3-aminophenyl)-3-(3-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 24716037) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-(3-aminophenyl)-3-(3-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-aminophenyl)-3-(3-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID24716037
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC Name2-(3-aminophenyl)-3-(3-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1c(F)cccc1N1C(=O)CSC1c1cccc(N)c1
InChIInChI=1S/C16H15FN2OS/c1-10-13(17)6-3-7-14(10)19-15(20)9-21-16(19)11-4-2-5-12(18)8-11/h2-8,16H,9,18H2,1H3
InChIKeyPUOMKWCTEPIOHO-UHFFFAOYSA-N
XLogP3.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 42803978
N-[3-[(2S)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127375
N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127376
N-[3-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide
CID 42667095
2-(4-aminophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one
CID 24716509
N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide
CID 93127402
(2R)-2-chloro-N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide
CID 93127406
4-ethyl-N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127409
2-(4-chlorophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one
CID 3822396
(E)-N-[4-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-phenylprop-2-enamide
CID 42806219
3-(2,4-difluorophenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 5129446
4-butyl-N-[4-[(2S)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93126508

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-3-(3-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-aminophenyl)-3-(3-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one (CID 24716037) is 2-(3-aminophenyl)-3-(3-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-aminophenyl)-3-(3-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-aminophenyl)-3-(3-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one is Cc1c(F)cccc1N1C(=O)CSC1c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-3-(3-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is PUOMKWCTEPIOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c1-10-13(17)6-3-7-14(10)19-15(20)9-21-16(19)11-4-2-5-12(18)8-11/h2-8,16H,9,18H2,1H3.
What are the key properties of 2-(3-aminophenyl)-3-(3-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one?
2-(3-aminophenyl)-3-(3-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 302.37 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-3-(3-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 24716037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).