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

C18H11BrN2O3S — CID 1382767

IUPAC5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(2-methylphenyl)-1,3-thiazol-2-one
SMILESCc1ccccc1-n1c(O)c(C2=c3cc(Br)ccc3=NC2=O)sc1=O
InChIInChI=1S/C18H11BrN2O3S/c1-9-4-2-3-5-13(9)21-17(23)15(25-18(21)24)14-11-8-10(19)6-7-12(11)20-16(14)22/h2-8,23H,1H3
InChIKeyKIDINDCKKWEPIA-UHFFFAOYSA-N
MW415.27 g/mol
LogP2.03
Rot. Bonds2

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

5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(2-methylphenyl)-1,3-thiazol-2-one (PubChem CID 1382767) has the molecular formula C18H11BrN2O3S and a molecular weight of 415.27 g/mol. Its IUPAC name is 5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(2-methylphenyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(2-methylphenyl)-1,3-thiazol-2-one
PubChem CID1382767
Molecular FormulaC18H11BrN2O3S
Molecular Weight415.27 g/mol
Exact Mass413.97
IUPAC Name5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(2-methylphenyl)-1,3-thiazol-2-one
SMILESCc1ccccc1-n1c(O)c(C2=c3cc(Br)ccc3=NC2=O)sc1=O
InChIInChI=1S/C18H11BrN2O3S/c1-9-4-2-3-5-13(9)21-17(23)15(25-18(21)24)14-11-8-10(19)6-7-12(11)20-16(14)22/h2-8,23H,1H3
InChIKeyKIDINDCKKWEPIA-UHFFFAOYSA-N
XLogP2.03
TPSA71.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.27
LogP ≤ 52.03
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-(2-methylphenyl)-1,3-thiazol-2-one?
The IUPAC name of 5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(2-methylphenyl)-1,3-thiazol-2-one (CID 1382767) is 5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(2-methylphenyl)-1,3-thiazol-2-one.
What is the SMILES notation for 5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(2-methylphenyl)-1,3-thiazol-2-one?
The canonical SMILES for 5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(2-methylphenyl)-1,3-thiazol-2-one is Cc1ccccc1-n1c(O)c(C2=c3cc(Br)ccc3=NC2=O)sc1=O.
What is the InChIKey of 5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(2-methylphenyl)-1,3-thiazol-2-one?
The InChIKey is KIDINDCKKWEPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrN2O3S/c1-9-4-2-3-5-13(9)21-17(23)15(25-18(21)24)14-11-8-10(19)6-7-12(11)20-16(14)22/h2-8,23H,1H3.
What are the key properties of 5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(2-methylphenyl)-1,3-thiazol-2-one?
5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(2-methylphenyl)-1,3-thiazol-2-one has a molecular weight of 415.27 g/mol, XLogP of 2.03, 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-(2-methylphenyl)-1,3-thiazol-2-one is sourced from PubChem (CID 1382767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).