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

C18H11BrN2O3S — CID 135575305

IUPAC5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(3-methylphenyl)-1,3-thiazol-2-one
SMILESCc1cccc(-n2c(O)c(C3=c4cc(Br)ccc4=NC3=O)sc2=O)c1
InChIInChI=1S/C18H11BrN2O3S/c1-9-3-2-4-11(7-9)21-17(23)15(25-18(21)24)14-12-8-10(19)5-6-13(12)20-16(14)22/h2-8,23H,1H3
InChIKeyARVNTZUKUUWUQM-UHFFFAOYSA-N
MW415.27 g/mol
LogP2.03
Rot. Bonds2

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

5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(3-methylphenyl)-1,3-thiazol-2-one (PubChem CID 135575305) 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-(3-methylphenyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(3-methylphenyl)-1,3-thiazol-2-one
PubChem CID135575305
Molecular FormulaC18H11BrN2O3S
Molecular Weight415.27 g/mol
Exact Mass413.97
IUPAC Name5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(3-methylphenyl)-1,3-thiazol-2-one
SMILESCc1cccc(-n2c(O)c(C3=c4cc(Br)ccc4=NC3=O)sc2=O)c1
InChIInChI=1S/C18H11BrN2O3S/c1-9-3-2-4-11(7-9)21-17(23)15(25-18(21)24)14-12-8-10(19)5-6-13(12)20-16(14)22/h2-8,23H,1H3
InChIKeyARVNTZUKUUWUQM-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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Related Compounds

5-(5-Bromo-2-oxo-1,2-dihydro-indol-3-ylidene)-3-phenyl-thiazolidine-2,4-dione
CID 1379490
5-bromo-3-{4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}-1,3-dihydro-2H-indol-2-one
CID 1571440
(5Z)-5-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 1382767
3-(4-Oxo-2-thioxo-3-m-tolyl-thiazolidin-5-ylidene)-1,3-dihydro-indol-2-one
CID 1257275
4-Hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazol-2-one
CID 1349272
5-(2-Oxo-1,2-dihydro-indol-3-ylidene)-3-phenyl-thiazolidine-2,4-dione
CID 1912882
5-[(2-methyl-1H-indol-3-yl)methylene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 135522043
(5Z)-5-(5-fluoro-2-hydroxy-3H-indol-3-ylidene)-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
CID 1306124
(Z)-5-(2-oxoindolin-3-ylidene)-2-thioxo-3-(3-(trifluoromethyl)phenyl)thiazolidin-4-one
CID 1356066
(3Z)-5-bromo-3-[3-(4-fluorophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one
CID 1907612
2-imino-5-(2-oxo(1H-benzo[d]azolin-3-ylidene))-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 3446683
3-[4-Hydroxy-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-5-methylindol-2-one
CID 3446684

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(3-methylphenyl)-1,3-thiazol-2-one?
The IUPAC name of 5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(3-methylphenyl)-1,3-thiazol-2-one (CID 135575305) is 5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(3-methylphenyl)-1,3-thiazol-2-one.
What is the SMILES notation for 5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(3-methylphenyl)-1,3-thiazol-2-one?
The canonical SMILES for 5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(3-methylphenyl)-1,3-thiazol-2-one is Cc1cccc(-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-methylphenyl)-1,3-thiazol-2-one?
The InChIKey is ARVNTZUKUUWUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrN2O3S/c1-9-3-2-4-11(7-9)21-17(23)15(25-18(21)24)14-12-8-10(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-methylphenyl)-1,3-thiazol-2-one?
5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(3-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-(3-methylphenyl)-1,3-thiazol-2-one is sourced from PubChem (CID 135575305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).