2-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one

C16H12FNO3S — CID 600748

IUPAC2-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc3c(c2)OCO3)N1c1ccc(F)cc1
InChIInChI=1S/C16H12FNO3S/c17-11-2-4-12(5-3-11)18-15(19)8-22-16(18)10-1-6-13-14(7-10)21-9-20-13/h1-7,16H,8-9H2
InChIKeyRUSFAZNIPZEUSM-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.33
Rot. Bonds2

About 2-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one

2-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one (PubChem CID 600748) has the molecular formula C16H12FNO3S and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one
PubChem CID600748
Molecular FormulaC16H12FNO3S
Molecular Weight317.34 g/mol
Exact Mass317.05
IUPAC Name2-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc3c(c2)OCO3)N1c1ccc(F)cc1
InChIInChI=1S/C16H12FNO3S/c17-11-2-4-12(5-3-11)18-15(19)8-22-16(18)10-1-6-13-14(7-10)21-9-20-13/h1-7,16H,8-9H2
InChIKeyRUSFAZNIPZEUSM-UHFFFAOYSA-N
XLogP3.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 5080198
5-Oxo-tetrahydro-thiophene-3-carboxylic acid {[(benzo[1,3]dioxol-5-ylmethyl)-carbamoyl]-methyl}-(2-fluoro-phenyl)-amide
CID 648727
(2E)-3-(1,3-benzodioxol-5-yl)-N-methyl-N-phenylprop-2-enamide
CID 6076661
3-(1,3-benzodioxol-5-yl)-N-ethyl-N-phenylacrylamide
CID 884886
2-(3,4-dimethoxyphenyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazolidin-4-one
CID 4577762
3-(4-Methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 15854269
2-(4-Methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840
3-(3,4-Dimethoxy-benzyl)-3H-benzothiazol-2-one
CID 651019
2-Benzo[1,3]dioxol-5-yl-3-(4-methoxy-phenyl)-thiazolidin-4-one
CID 653068
(Z)-3-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)-N-phenylpropanamide
CID 1905326
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide
CID 3238836
N-(1,3-Benzodioxol-5-ylmethyl)-2-[(1-ethyl-2-oxo-1,2-dihydro-4-quinolinyl)sulfanyl]acetamide
CID 3241624

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one (CID 600748) is 2-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc3c(c2)OCO3)N1c1ccc(F)cc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is RUSFAZNIPZEUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3S/c17-11-2-4-12(5-3-11)18-15(19)8-22-16(18)10-1-6-13-14(7-10)21-9-20-13/h1-7,16H,8-9H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one?
2-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 317.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 600748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).