5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one

C18H16BrN3O3S — CID 1210800

IUPAC5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one
SMILESO=C(Cn1c(O)c(C=C2C=Nc3ccc(Br)cc32)sc1=O)N1CCCC1
InChIInChI=1S/C18H16BrN3O3S/c19-12-3-4-14-13(8-12)11(9-20-14)7-15-17(24)22(18(25)26-15)10-16(23)21-5-1-2-6-21/h3-4,7-9,24H,1-2,5-6,10H2
InChIKeyWELYOMUSIBFLJH-UHFFFAOYSA-N
MW434.32 g/mol
LogP3.26
Rot. Bonds3

About 5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one

5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one (PubChem CID 1210800) has the molecular formula C18H16BrN3O3S and a molecular weight of 434.32 g/mol. Its IUPAC name is 5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one
PubChem CID1210800
Molecular FormulaC18H16BrN3O3S
Molecular Weight434.32 g/mol
Exact Mass433.01
IUPAC Name5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one
SMILESO=C(Cn1c(O)c(C=C2C=Nc3ccc(Br)cc32)sc1=O)N1CCCC1
InChIInChI=1S/C18H16BrN3O3S/c19-12-3-4-14-13(8-12)11(9-20-14)7-15-17(24)22(18(25)26-15)10-16(23)21-5-1-2-6-21/h3-4,7-9,24H,1-2,5-6,10H2
InChIKeyWELYOMUSIBFLJH-UHFFFAOYSA-N
XLogP3.26
TPSA74.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5Z)-5-[(5-bromo-1H-indol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 135491009
5-[(5-bromo-1H-indol-3-yl)methylene]-3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3-thiazolidine-2,4-dione
CID 135467614
5-((5-Bromo-1h-indol-3-yl)methylene)-3-(2,6-difluorobenzyl)thiazolidine-2,4-dione
CID 145706602
5-[(2-methyl-1H-indol-3-yl)methylene]-3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3-thiazolidine-2,4-dione
CID 135467612
4-Hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one
CID 1210777
2-[5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]-N-(2,4-difluorophenyl)acetamide
CID 3921150
2-[5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]-N-(2,4-difluorophenyl)acetamide
CID 135613780
5-[(E)-(5-bromoindol-3-ylidene)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one
CID 136190766
5-[(E)-(5-bromoindol-3-ylidene)methyl]-3-[(2-fluorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one
CID 136190801
2-[5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 137048214
5-[(5-Bromoindol-3-ylidene)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one
CID 137083602
5-[(5-Bromoindol-3-ylidene)methyl]-3-[(2-fluorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one
CID 137083606

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one?
The IUPAC name of 5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one (CID 1210800) is 5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one?
The canonical SMILES for 5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one is O=C(Cn1c(O)c(C=C2C=Nc3ccc(Br)cc32)sc1=O)N1CCCC1.
What is the InChIKey of 5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one?
The InChIKey is WELYOMUSIBFLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O3S/c19-12-3-4-14-13(8-12)11(9-20-14)7-15-17(24)22(18(25)26-15)10-16(23)21-5-1-2-6-21/h3-4,7-9,24H,1-2,5-6,10H2.
What are the key properties of 5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one?
5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one has a molecular weight of 434.32 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 1210800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).