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

C18H12N2O4S — CID 135575322

IUPAC4-hydroxy-3-(3-methoxyphenyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one
SMILESCOc1cccc(-n2c(O)c(C3=c4ccccc4=NC3=O)sc2=O)c1
InChIInChI=1S/C18H12N2O4S/c1-24-11-6-4-5-10(9-11)20-17(22)15(25-18(20)23)14-12-7-2-3-8-13(12)19-16(14)21/h2-9,22H,1H3
InChIKeyRHNFGUMJTJGHBO-UHFFFAOYSA-N
MW352.37 g/mol
LogP0.97
Rot. Bonds3

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

4-hydroxy-3-(3-methoxyphenyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one (PubChem CID 135575322) has the molecular formula C18H12N2O4S and a molecular weight of 352.37 g/mol. Its IUPAC name is 4-hydroxy-3-(3-methoxyphenyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(3-methoxyphenyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one
PubChem CID135575322
Molecular FormulaC18H12N2O4S
Molecular Weight352.37 g/mol
Exact Mass352.05
IUPAC Name4-hydroxy-3-(3-methoxyphenyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one
SMILESCOc1cccc(-n2c(O)c(C3=c4ccccc4=NC3=O)sc2=O)c1
InChIInChI=1S/C18H12N2O4S/c1-24-11-6-4-5-10(9-11)20-17(22)15(25-18(20)23)14-12-7-2-3-8-13(12)19-16(14)21/h2-9,22H,1H3
InChIKeyRHNFGUMJTJGHBO-UHFFFAOYSA-N
XLogP0.97
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(3-methoxyphenyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-3-(3-methoxyphenyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one (CID 135575322) is 4-hydroxy-3-(3-methoxyphenyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-3-(3-methoxyphenyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-3-(3-methoxyphenyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one is COc1cccc(-n2c(O)c(C3=c4ccccc4=NC3=O)sc2=O)c1.
What is the InChIKey of 4-hydroxy-3-(3-methoxyphenyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one?
The InChIKey is RHNFGUMJTJGHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O4S/c1-24-11-6-4-5-10(9-11)20-17(22)15(25-18(20)23)14-12-7-2-3-8-13(12)19-16(14)21/h2-9,22H,1H3.
What are the key properties of 4-hydroxy-3-(3-methoxyphenyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one?
4-hydroxy-3-(3-methoxyphenyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one has a molecular weight of 352.37 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(3-methoxyphenyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one is sourced from PubChem (CID 135575322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).