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

C19H13FN2O4S — CID 135575330

IUPAC3-(2-ethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one
SMILESCCOc1ccccc1-n1c(O)c(C2=c3cc(F)ccc3=NC2=O)sc1=O
InChIInChI=1S/C19H13FN2O4S/c1-2-26-14-6-4-3-5-13(14)22-18(24)16(27-19(22)25)15-11-9-10(20)7-8-12(11)21-17(15)23/h3-9,24H,2H2,1H3
InChIKeyHNBMIZZMDSPQDQ-UHFFFAOYSA-N
MW384.39 g/mol
LogP1.50
Rot. Bonds4

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

3-(2-ethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one (PubChem CID 135575330) has the molecular formula C19H13FN2O4S and a molecular weight of 384.39 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one
PubChem CID135575330
Molecular FormulaC19H13FN2O4S
Molecular Weight384.39 g/mol
Exact Mass384.06
IUPAC Name3-(2-ethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one
SMILESCCOc1ccccc1-n1c(O)c(C2=c3cc(F)ccc3=NC2=O)sc1=O
InChIInChI=1S/C19H13FN2O4S/c1-2-26-14-6-4-3-5-13(14)22-18(24)16(27-19(22)25)15-11-9-10(20)7-8-12(11)21-17(15)23/h3-9,24H,2H2,1H3
InChIKeyHNBMIZZMDSPQDQ-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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Related Compounds

3-(2,4-dimethoxyphenyl)-5-(5-fluoro-2-oxo(1H-benzo[d]azolin-3-ylidene))-2-thio xo-1,3-thiazolidin-4-one
CID 4515427
(3Z)-3-[3-(4-ethoxyphenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one
CID 1385322
(Z)-5-(5-bromo-2-oxoindolin-3-ylidene)-3-(4-ethoxyphenyl)-2-thioxothiazolidin-4-one
CID 1274063
(3Z)-3-{(2Z)-3-(2-methoxyphenyl)-2-[(2-methoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-1,3-dihydro-2H-indol-2-one
CID 1382375
3-(4-Ethoxy-phenyl)-5-(2-oxo-1,2-dihydro-indol-3-ylidene)-thiazolidine-2,4-dione
CID 600243
(Z)-5-((1H-benzo[d]imidazol-2-yl)methylene)-3-(2-methoxyphenyl)-2-thioxothiazolidin-4-one
CID 1938841
(5Z)-5-(5-fluoro-2-hydroxy-3H-indol-3-ylidene)-3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
CID 1303831
(2Z,5E)-3-(4-ethoxyphenyl)-2-((4-ethoxyphenyl)imino)-5-(2-oxoindolin-3-ylidene)thiazolidin-4-one
CID 1382374
5-(5-Fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazol-2-one
CID 135575320
5-(5-Fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(3-methoxyphenyl)-1,3-thiazol-2-one
CID 135575324
5-(5-Fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(4-methoxyphenyl)-1,3-thiazol-2-one
CID 135575326
3-(4-Ethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one
CID 135711365

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one?
The IUPAC name of 3-(2-ethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one (CID 135575330) is 3-(2-ethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-ethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-ethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one is CCOc1ccccc1-n1c(O)c(C2=c3cc(F)ccc3=NC2=O)sc1=O.
What is the InChIKey of 3-(2-ethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one?
The InChIKey is HNBMIZZMDSPQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O4S/c1-2-26-14-6-4-3-5-13(14)22-18(24)16(27-19(22)25)15-11-9-10(20)7-8-12(11)21-17(15)23/h3-9,24H,2H2,1H3.
What are the key properties of 3-(2-ethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one?
3-(2-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-(2-ethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one is sourced from PubChem (CID 135575330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).