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

C19H14N2O4S — CID 600243

IUPAC3-(4-ethoxyphenyl)-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one
SMILESCCOc1ccc(-n2c(O)c(C3=c4ccccc4=NC3=O)sc2=O)cc1
InChIInChI=1S/C19H14N2O4S/c1-2-25-12-9-7-11(8-10-12)21-18(23)16(26-19(21)24)15-13-5-3-4-6-14(13)20-17(15)22/h3-10,23H,2H2,1H3
InChIKeyMONXNDGMIHIKHL-UHFFFAOYSA-N
MW366.40 g/mol
LogP1.36
Rot. Bonds4

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

3-(4-ethoxyphenyl)-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one (PubChem CID 600243) has the molecular formula C19H14N2O4S and a molecular weight of 366.40 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one
PubChem CID600243
Molecular FormulaC19H14N2O4S
Molecular Weight366.40 g/mol
Exact Mass366.07
IUPAC Name3-(4-ethoxyphenyl)-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one
SMILESCCOc1ccc(-n2c(O)c(C3=c4ccccc4=NC3=O)sc2=O)cc1
InChIInChI=1S/C19H14N2O4S/c1-2-25-12-9-7-11(8-10-12)21-18(23)16(26-19(21)24)15-13-5-3-4-6-14(13)20-17(15)22/h3-10,23H,2H2,1H3
InChIKeyMONXNDGMIHIKHL-UHFFFAOYSA-N
XLogP1.36
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one?
The IUPAC name of 3-(4-ethoxyphenyl)-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one (CID 600243) is 3-(4-ethoxyphenyl)-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(4-ethoxyphenyl)-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(4-ethoxyphenyl)-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one is CCOc1ccc(-n2c(O)c(C3=c4ccccc4=NC3=O)sc2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one?
The InChIKey is MONXNDGMIHIKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4S/c1-2-25-12-9-7-11(8-10-12)21-18(23)16(26-19(21)24)15-13-5-3-4-6-14(13)20-17(15)22/h3-10,23H,2H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one?
3-(4-ethoxyphenyl)-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one has a molecular weight of 366.40 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one is sourced from PubChem (CID 600243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).