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

C19H13FN2O4S — CID 135711365

IUPAC3-(4-ethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one
SMILESCCOc1ccc(-n2c(O)c(C3=c4cc(F)ccc4=NC3=O)sc2=O)cc1
InChIInChI=1S/C19H13FN2O4S/c1-2-26-12-6-4-11(5-7-12)22-18(24)16(27-19(22)25)15-13-9-10(20)3-8-14(13)21-17(15)23/h3-9,24H,2H2,1H3
InChIKeyYVBRTYOMODNVKS-UHFFFAOYSA-N
MW384.39 g/mol
LogP1.50
Rot. Bonds4

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

3-(4-ethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one (PubChem CID 135711365) has the molecular formula C19H13FN2O4S and a molecular weight of 384.39 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one
PubChem CID135711365
Molecular FormulaC19H13FN2O4S
Molecular Weight384.39 g/mol
Exact Mass384.06
IUPAC Name3-(4-ethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one
SMILESCCOc1ccc(-n2c(O)c(C3=c4cc(F)ccc4=NC3=O)sc2=O)cc1
InChIInChI=1S/C19H13FN2O4S/c1-2-26-12-6-4-11(5-7-12)22-18(24)16(27-19(22)25)15-13-9-10(20)3-8-14(13)21-17(15)23/h3-9,24H,2H2,1H3
InChIKeyYVBRTYOMODNVKS-UHFFFAOYSA-N
XLogP1.50
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one?
The IUPAC name of 3-(4-ethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one (CID 135711365) is 3-(4-ethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one.
What is the SMILES notation for 3-(4-ethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one?
The canonical SMILES for 3-(4-ethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one is CCOc1ccc(-n2c(O)c(C3=c4cc(F)ccc4=NC3=O)sc2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one?
The InChIKey is YVBRTYOMODNVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O4S/c1-2-26-12-6-4-11(5-7-12)22-18(24)16(27-19(22)25)15-13-9-10(20)3-8-14(13)21-17(15)23/h3-9,24H,2H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one?
3-(4-ethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one has a molecular weight of 384.39 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one is sourced from PubChem (CID 135711365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).