1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone

C21H21BrN2O2S — CID 122330147

IUPAC1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone
SMILESCOc1ccc(Br)cc1C1SCCN1C(=O)Cc1cn(C)c2ccccc12
InChIInChI=1S/C21H21BrN2O2S/c1-23-13-14(16-5-3-4-6-18(16)23)11-20(25)24-9-10-27-21(24)17-12-15(22)7-8-19(17)26-2/h3-8,12-13,21H,9-11H2,1-2H3
InChIKeyZVGCSEYVBMRNMM-UHFFFAOYSA-N
MW445.38 g/mol
LogP4.77
Rot. Bonds4

About 1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone

1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone (PubChem CID 122330147) has the molecular formula C21H21BrN2O2S and a molecular weight of 445.38 g/mol. Its IUPAC name is 1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone
PubChem CID122330147
Molecular FormulaC21H21BrN2O2S
Molecular Weight445.38 g/mol
Exact Mass444.05
IUPAC Name1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone
SMILESCOc1ccc(Br)cc1C1SCCN1C(=O)Cc1cn(C)c2ccccc12
InChIInChI=1S/C21H21BrN2O2S/c1-23-13-14(16-5-3-4-6-18(16)23)11-20(25)24-9-10-27-21(24)17-12-15(22)7-8-19(17)26-2/h3-8,12-13,21H,9-11H2,1-2H3
InChIKeyZVGCSEYVBMRNMM-UHFFFAOYSA-N
XLogP4.77
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.38
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylindol-3-yl)-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 122330826
1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone
CID 122345740
1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(2-chlorophenyl)ethanone
CID 122330084
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone
CID 122331088
1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-3-cyclohexylpropan-1-one
CID 122330021
[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 122330092
1-[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 7262533
1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(2-fluorophenoxy)propan-1-one
CID 122330180
[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 122330091
[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2,3,4-trifluorophenyl)methanone
CID 122330126
1-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 70750405
1-[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone
CID 4567893

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone?
The IUPAC name of 1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone (CID 122330147) is 1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone.
What is the SMILES notation for 1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone?
The canonical SMILES for 1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone is COc1ccc(Br)cc1C1SCCN1C(=O)Cc1cn(C)c2ccccc12.
What is the InChIKey of 1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone?
The InChIKey is ZVGCSEYVBMRNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O2S/c1-23-13-14(16-5-3-4-6-18(16)23)11-20(25)24-9-10-27-21(24)17-12-15(22)7-8-19(17)26-2/h3-8,12-13,21H,9-11H2,1-2H3.
What are the key properties of 1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone?
1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone has a molecular weight of 445.38 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone is sourced from PubChem (CID 122330147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).