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

C17H10N2O4S — CID 4557047

IUPAC4-hydroxy-3-(4-hydroxyphenyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one
SMILESO=C1N=c2ccccc2=C1c1sc(=O)n(-c2ccc(O)cc2)c1O
InChIInChI=1S/C17H10N2O4S/c20-10-7-5-9(6-8-10)19-16(22)14(24-17(19)23)13-11-3-1-2-4-12(11)18-15(13)21/h1-8,20,22H
InChIKeyUPDUDPDUMWBBJA-UHFFFAOYSA-N
MW338.34 g/mol
LogP0.67
Rot. Bonds2

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

4-hydroxy-3-(4-hydroxyphenyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one (PubChem CID 4557047) has the molecular formula C17H10N2O4S and a molecular weight of 338.34 g/mol. Its IUPAC name is 4-hydroxy-3-(4-hydroxyphenyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(4-hydroxyphenyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one
PubChem CID4557047
Molecular FormulaC17H10N2O4S
Molecular Weight338.34 g/mol
Exact Mass338.04
IUPAC Name4-hydroxy-3-(4-hydroxyphenyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one
SMILESO=C1N=c2ccccc2=C1c1sc(=O)n(-c2ccc(O)cc2)c1O
InChIInChI=1S/C17H10N2O4S/c20-10-7-5-9(6-8-10)19-16(22)14(24-17(19)23)13-11-3-1-2-4-12(11)18-15(13)21/h1-8,20,22H
InChIKeyUPDUDPDUMWBBJA-UHFFFAOYSA-N
XLogP0.67
TPSA91.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(4-hydroxyphenyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-3-(4-hydroxyphenyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one (CID 4557047) is 4-hydroxy-3-(4-hydroxyphenyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-3-(4-hydroxyphenyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-3-(4-hydroxyphenyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one is O=C1N=c2ccccc2=C1c1sc(=O)n(-c2ccc(O)cc2)c1O.
What is the InChIKey of 4-hydroxy-3-(4-hydroxyphenyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one?
The InChIKey is UPDUDPDUMWBBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O4S/c20-10-7-5-9(6-8-10)19-16(22)14(24-17(19)23)13-11-3-1-2-4-12(11)18-15(13)21/h1-8,20,22H.
What are the key properties of 4-hydroxy-3-(4-hydroxyphenyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one?
4-hydroxy-3-(4-hydroxyphenyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one has a molecular weight of 338.34 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(4-hydroxyphenyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one is sourced from PubChem (CID 4557047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).