3-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one

C16H13ClFNO2S — CID 5155466

IUPAC3-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C16H13ClFNO2S/c1-21-14-7-6-12(8-13(14)17)19-15(20)9-22-16(19)10-2-4-11(18)5-3-10/h2-8,16H,9H2,1H3
InChIKeyNGLPYZKNSMYJSB-UHFFFAOYSA-N
MW337.80 g/mol
LogP4.27
Rot. Bonds3

About 3-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one

3-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one (PubChem CID 5155466) has the molecular formula C16H13ClFNO2S and a molecular weight of 337.80 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
PubChem CID5155466
Molecular FormulaC16H13ClFNO2S
Molecular Weight337.80 g/mol
Exact Mass337.03
IUPAC Name3-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C16H13ClFNO2S/c1-21-14-7-6-12(8-13(14)17)19-15(20)9-22-16(19)10-2-4-11(18)5-3-10/h2-8,16H,9H2,1H3
InChIKeyNGLPYZKNSMYJSB-UHFFFAOYSA-N
XLogP4.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.80
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-Chlorobenzyl)thio]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 2732348
2-(4-Fluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 4519035
3-(4-Fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 5080198
2-(3,4-Difluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3370398
4-Thiazolidinone, 3-(4-methoxyphenyl)-2-phenyl-
CID 2796543
2-((4-(3-chloro-4-methoxyphenyl)-3-oxo-3,4-dihydropyrazin-2-yl)thio)-N-(4-methylbenzyl)acetamide
CID 16813643
1-Benzyl-3-(3-chloro-4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
CID 70691313
3-(3-Chloro-4-methoxyphenyl)-1-[(3-fluorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 145963827
3-(3-Chloro-4-methoxyphenyl)-1-[(3,4-difluorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 145966582
3-(3-Chloro-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 145966875
3-(3-Chloro-4-methoxyphenyl)-1-[(2,4-difluorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 145967127
1-[(2-Chloro-4-fluorophenyl)methyl]-3-(3-chloro-4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
CID 145968694

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one (CID 5155466) is 3-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one is COc1ccc(N2C(=O)CSC2c2ccc(F)cc2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is NGLPYZKNSMYJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO2S/c1-21-14-7-6-12(8-13(14)17)19-15(20)9-22-16(19)10-2-4-11(18)5-3-10/h2-8,16H,9H2,1H3.
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
3-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 337.80 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5155466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).