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

C17H9BrN2O3S — CID 1379490

IUPAC5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-phenyl-1,3-thiazol-2-one
SMILESO=C1N=c2ccc(Br)cc2=C1c1sc(=O)n(-c2ccccc2)c1O
InChIInChI=1S/C17H9BrN2O3S/c18-9-6-7-12-11(8-9)13(15(21)19-12)14-16(22)20(17(23)24-14)10-4-2-1-3-5-10/h1-8,22H
InChIKeyNOOKZJFYOFDTTH-UHFFFAOYSA-N
MW401.24 g/mol
LogP1.73
Rot. Bonds2

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

5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-phenyl-1,3-thiazol-2-one (PubChem CID 1379490) has the molecular formula C17H9BrN2O3S and a molecular weight of 401.24 g/mol. Its IUPAC name is 5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-phenyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-phenyl-1,3-thiazol-2-one
PubChem CID1379490
Molecular FormulaC17H9BrN2O3S
Molecular Weight401.24 g/mol
Exact Mass399.95
IUPAC Name5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-phenyl-1,3-thiazol-2-one
SMILESO=C1N=c2ccc(Br)cc2=C1c1sc(=O)n(-c2ccccc2)c1O
InChIInChI=1S/C17H9BrN2O3S/c18-9-6-7-12-11(8-9)13(15(21)19-12)14-16(22)20(17(23)24-14)10-4-2-1-3-5-10/h1-8,22H
InChIKeyNOOKZJFYOFDTTH-UHFFFAOYSA-N
XLogP1.73
TPSA71.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-phenyl-1,3-thiazol-2-one?
The IUPAC name of 5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-phenyl-1,3-thiazol-2-one (CID 1379490) is 5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-phenyl-1,3-thiazol-2-one.
What is the SMILES notation for 5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-phenyl-1,3-thiazol-2-one?
The canonical SMILES for 5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-phenyl-1,3-thiazol-2-one is O=C1N=c2ccc(Br)cc2=C1c1sc(=O)n(-c2ccccc2)c1O.
What is the InChIKey of 5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-phenyl-1,3-thiazol-2-one?
The InChIKey is NOOKZJFYOFDTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9BrN2O3S/c18-9-6-7-12-11(8-9)13(15(21)19-12)14-16(22)20(17(23)24-14)10-4-2-1-3-5-10/h1-8,22H.
What are the key properties of 5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-phenyl-1,3-thiazol-2-one?
5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-phenyl-1,3-thiazol-2-one has a molecular weight of 401.24 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-phenyl-1,3-thiazol-2-one is sourced from PubChem (CID 1379490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).