3-(2,4-dimethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one

C19H13FN2O5S — CID 135711380

IUPAC3-(2,4-dimethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one
SMILESCOc1ccc(-n2c(O)c(C3=c4cc(F)ccc4=NC3=O)sc2=O)c(OC)c1
InChIInChI=1S/C19H13FN2O5S/c1-26-10-4-6-13(14(8-10)27-2)22-18(24)16(28-19(22)25)15-11-7-9(20)3-5-12(11)21-17(15)23/h3-8,24H,1-2H3
InChIKeySBRZEXZFYBZLFX-UHFFFAOYSA-N
MW400.39 g/mol
LogP1.12
Rot. Bonds4

About 3-(2,4-dimethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one

3-(2,4-dimethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one (PubChem CID 135711380) has the molecular formula C19H13FN2O5S and a molecular weight of 400.39 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one
PubChem CID135711380
Molecular FormulaC19H13FN2O5S
Molecular Weight400.39 g/mol
Exact Mass400.05
IUPAC Name3-(2,4-dimethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one
SMILESCOc1ccc(-n2c(O)c(C3=c4cc(F)ccc4=NC3=O)sc2=O)c(OC)c1
InChIInChI=1S/C19H13FN2O5S/c1-26-10-4-6-13(14(8-10)27-2)22-18(24)16(28-19(22)25)15-11-7-9(20)3-5-12(11)21-17(15)23/h3-8,24H,1-2H3
InChIKeySBRZEXZFYBZLFX-UHFFFAOYSA-N
XLogP1.12
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(2,4-dimethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one (CID 135711380) is 3-(2,4-dimethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one is COc1ccc(-n2c(O)c(C3=c4cc(F)ccc4=NC3=O)sc2=O)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one?
The InChIKey is SBRZEXZFYBZLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O5S/c1-26-10-4-6-13(14(8-10)27-2)22-18(24)16(28-19(22)25)15-11-7-9(20)3-5-12(11)21-17(15)23/h3-8,24H,1-2H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one?
3-(2,4-dimethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one has a molecular weight of 400.39 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one is sourced from PubChem (CID 135711380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).