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

C18H11BrN2O4S — CID 135575323

IUPAC5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(3-methoxyphenyl)-1,3-thiazol-2-one
SMILESCOc1cccc(-n2c(O)c(C3=c4cc(Br)ccc4=NC3=O)sc2=O)c1
InChIInChI=1S/C18H11BrN2O4S/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
InChIKeyPXVGZXRMTSQRNF-UHFFFAOYSA-N
MW431.27 g/mol
LogP1.73
Rot. Bonds3

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

5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(3-methoxyphenyl)-1,3-thiazol-2-one (PubChem CID 135575323) has the molecular formula C18H11BrN2O4S and a molecular weight of 431.27 g/mol. Its IUPAC name is 5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(3-methoxyphenyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(3-methoxyphenyl)-1,3-thiazol-2-one
PubChem CID135575323
Molecular FormulaC18H11BrN2O4S
Molecular Weight431.27 g/mol
Exact Mass429.96
IUPAC Name5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(3-methoxyphenyl)-1,3-thiazol-2-one
SMILESCOc1cccc(-n2c(O)c(C3=c4cc(Br)ccc4=NC3=O)sc2=O)c1
InChIInChI=1S/C18H11BrN2O4S/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
InChIKeyPXVGZXRMTSQRNF-UHFFFAOYSA-N
XLogP1.73
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(3-methoxyphenyl)-1,3-thiazol-2-one?
The IUPAC name of 5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(3-methoxyphenyl)-1,3-thiazol-2-one (CID 135575323) is 5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(3-methoxyphenyl)-1,3-thiazol-2-one.
What is the SMILES notation for 5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(3-methoxyphenyl)-1,3-thiazol-2-one?
The canonical SMILES for 5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(3-methoxyphenyl)-1,3-thiazol-2-one is COc1cccc(-n2c(O)c(C3=c4cc(Br)ccc4=NC3=O)sc2=O)c1.
What is the InChIKey of 5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(3-methoxyphenyl)-1,3-thiazol-2-one?
The InChIKey is PXVGZXRMTSQRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrN2O4S/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-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(3-methoxyphenyl)-1,3-thiazol-2-one?
5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(3-methoxyphenyl)-1,3-thiazol-2-one has a molecular weight of 431.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(3-methoxyphenyl)-1,3-thiazol-2-one is sourced from PubChem (CID 135575323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).