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

C18H18FNO3S — CID 4055127

IUPAC2-(2,3-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cccc(C2SCC(=O)N2c2ccc(C)c(F)c2)c1OC
InChIInChI=1S/C18H18FNO3S/c1-11-7-8-12(9-14(11)19)20-16(21)10-24-18(20)13-5-4-6-15(22-2)17(13)23-3/h4-9,18H,10H2,1-3H3
InChIKeyFXMVPUIAMZCNNR-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.93
Rot. Bonds4

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

2-(2,3-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 4055127) has the molecular formula C18H18FNO3S and a molecular weight of 347.41 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID4055127
Molecular FormulaC18H18FNO3S
Molecular Weight347.41 g/mol
Exact Mass347.10
IUPAC Name2-(2,3-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cccc(C2SCC(=O)N2c2ccc(C)c(F)c2)c1OC
InChIInChI=1S/C18H18FNO3S/c1-11-7-8-12(9-14(11)19)20-16(21)10-24-18(20)13-5-4-6-15(22-2)17(13)23-3/h4-9,18H,10H2,1-3H3
InChIKeyFXMVPUIAMZCNNR-UHFFFAOYSA-N
XLogP3.93
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-1,3-thiazolidin-4-one (CID 4055127) is 2-(2,3-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-1,3-thiazolidin-4-one is COc1cccc(C2SCC(=O)N2c2ccc(C)c(F)c2)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is FXMVPUIAMZCNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3S/c1-11-7-8-12(9-14(11)19)20-16(21)10-24-18(20)13-5-4-6-15(22-2)17(13)23-3/h4-9,18H,10H2,1-3H3.
What are the key properties of 2-(2,3-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-1,3-thiazolidin-4-one?
2-(2,3-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 347.41 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4055127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).