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

C18H11FN2O4S — CID 135575320

IUPAC5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazol-2-one
SMILESCOc1ccccc1-n1c(O)c(C2=c3cc(F)ccc3=NC2=O)sc1=O
InChIInChI=1S/C18H11FN2O4S/c1-25-13-5-3-2-4-12(13)21-17(23)15(26-18(21)24)14-10-8-9(19)6-7-11(10)20-16(14)22/h2-8,23H,1H3
InChIKeyJJMMUBLODRXIHU-UHFFFAOYSA-N
MW370.36 g/mol
LogP1.11
Rot. Bonds3

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

5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazol-2-one (PubChem CID 135575320) has the molecular formula C18H11FN2O4S and a molecular weight of 370.36 g/mol. Its IUPAC name is 5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazol-2-one
PubChem CID135575320
Molecular FormulaC18H11FN2O4S
Molecular Weight370.36 g/mol
Exact Mass370.04
IUPAC Name5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazol-2-one
SMILESCOc1ccccc1-n1c(O)c(C2=c3cc(F)ccc3=NC2=O)sc1=O
InChIInChI=1S/C18H11FN2O4S/c1-25-13-5-3-2-4-12(13)21-17(23)15(26-18(21)24)14-10-8-9(19)6-7-11(10)20-16(14)22/h2-8,23H,1H3
InChIKeyJJMMUBLODRXIHU-UHFFFAOYSA-N
XLogP1.11
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazol-2-one?
The IUPAC name of 5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazol-2-one (CID 135575320) is 5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazol-2-one.
What is the SMILES notation for 5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazol-2-one?
The canonical SMILES for 5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazol-2-one is COc1ccccc1-n1c(O)c(C2=c3cc(F)ccc3=NC2=O)sc1=O.
What is the InChIKey of 5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazol-2-one?
The InChIKey is JJMMUBLODRXIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2O4S/c1-25-13-5-3-2-4-12(13)21-17(23)15(26-18(21)24)14-10-8-9(19)6-7-11(10)20-16(14)22/h2-8,23H,1H3.
What are the key properties of 5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazol-2-one?
5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazol-2-one has a molecular weight of 370.36 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazol-2-one is sourced from PubChem (CID 135575320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).