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

C18H11FN2O4S — CID 135575324

IUPAC5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(3-methoxyphenyl)-1,3-thiazol-2-one
SMILESCOc1cccc(-n2c(O)c(C3=c4cc(F)ccc4=NC3=O)sc2=O)c1
InChIInChI=1S/C18H11FN2O4S/c1-25-11-4-2-3-10(8-11)21-17(23)15(26-18(21)24)14-12-7-9(19)5-6-13(12)20-16(14)22/h2-8,23H,1H3
InChIKeyMVWBMPBVDJTXIP-UHFFFAOYSA-N
MW370.36 g/mol
LogP1.11
Rot. Bonds3

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

5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(3-methoxyphenyl)-1,3-thiazol-2-one (PubChem CID 135575324) 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-(3-methoxyphenyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(3-methoxyphenyl)-1,3-thiazol-2-one
PubChem CID135575324
Molecular FormulaC18H11FN2O4S
Molecular Weight370.36 g/mol
Exact Mass370.04
IUPAC Name5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(3-methoxyphenyl)-1,3-thiazol-2-one
SMILESCOc1cccc(-n2c(O)c(C3=c4cc(F)ccc4=NC3=O)sc2=O)c1
InChIInChI=1S/C18H11FN2O4S/c1-25-11-4-2-3-10(8-11)21-17(23)15(26-18(21)24)14-12-7-9(19)5-6-13(12)20-16(14)22/h2-8,23H,1H3
InChIKeyMVWBMPBVDJTXIP-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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Related Compounds

(Z)-5-(5-bromo-2-oxoindolin-3-ylidene)-3-(4-methoxyphenyl)-2-thioxothiazolidin-4-one
CID 1230233
(3Z)-3-[3-(4-ethoxyphenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one
CID 1385322
3-(4-Ethoxy-phenyl)-5-(2-oxo-1,2-dihydro-indol-3-ylidene)-thiazolidine-2,4-dione
CID 600243
3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)azamethylene]-5-(2-oxo(1H-benzo[d]azol in-3-ylidene))-1,3-thiazolidin-4-one
CID 1235117
(5Z)-5-(5-fluoro-2-hydroxy-3H-indol-3-ylidene)-3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
CID 1303831
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-(4-methoxyphenyl)-1,3-thiazol-2-one
CID 135575326
3-(2-Ethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one
CID 135575330
(4Z)-2-(2-fluorophenyl)-4-{1-[(3-methoxyphenyl)amino]ethylidene}isoquinoline-1,3(2H,4H)-dione
CID 135629923
3-(4-Ethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one
CID 135711365
3-(2,4-Dimethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one
CID 135711380
(E)-3-(4-methoxyphenyl)-5-(2-oxoindolin-3-ylidene)thiazolidine-2,4-dione
CID 1205946

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(3-methoxyphenyl)-1,3-thiazol-2-one?
The IUPAC name of 5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(3-methoxyphenyl)-1,3-thiazol-2-one (CID 135575324) is 5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(3-methoxyphenyl)-1,3-thiazol-2-one.
What is the SMILES notation for 5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(3-methoxyphenyl)-1,3-thiazol-2-one?
The canonical SMILES for 5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(3-methoxyphenyl)-1,3-thiazol-2-one is COc1cccc(-n2c(O)c(C3=c4cc(F)ccc4=NC3=O)sc2=O)c1.
What is the InChIKey of 5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(3-methoxyphenyl)-1,3-thiazol-2-one?
The InChIKey is MVWBMPBVDJTXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2O4S/c1-25-11-4-2-3-10(8-11)21-17(23)15(26-18(21)24)14-12-7-9(19)5-6-13(12)20-16(14)22/h2-8,23H,1H3.
What are the key properties of 5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(3-methoxyphenyl)-1,3-thiazol-2-one?
5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(3-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-(3-methoxyphenyl)-1,3-thiazol-2-one is sourced from PubChem (CID 135575324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).