5-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methyl-3H-indol-2-one

C13H11BrN2OS — CID 116887881

IUPAC5-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methyl-3H-indol-2-one
SMILESCc1nc(-c2ccc3c(c2)CC(=O)N3C)sc1Br
InChIInChI=1S/C13H11BrN2OS/c1-7-12(14)18-13(15-7)8-3-4-10-9(5-8)6-11(17)16(10)2/h3-5H,6H2,1-2H3
InChIKeyAEOCQGDRPQYBQV-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.40
Rot. Bonds1

About 5-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methyl-3H-indol-2-one

5-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methyl-3H-indol-2-one (PubChem CID 116887881) has the molecular formula C13H11BrN2OS and a molecular weight of 323.22 g/mol. Its IUPAC name is 5-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methyl-3H-indol-2-one
PubChem CID116887881
Molecular FormulaC13H11BrN2OS
Molecular Weight323.22 g/mol
Exact Mass321.98
IUPAC Name5-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methyl-3H-indol-2-one
SMILESCc1nc(-c2ccc3c(c2)CC(=O)N3C)sc1Br
InChIInChI=1S/C13H11BrN2OS/c1-7-12(14)18-13(15-7)8-3-4-10-9(5-8)6-11(17)16(10)2/h3-5H,6H2,1-2H3
InChIKeyAEOCQGDRPQYBQV-UHFFFAOYSA-N
XLogP3.40
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methyl-3H-indol-2-one
CID 116856852
5-bromo-2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazole
CID 116887927
5-[2-(aminomethyl)-5-bromo-1H-imidazol-4-yl]-1-methyl-3H-indol-2-one
CID 84604527
2-methyl-4-(1-methyl-2-oxo-3H-indol-5-yl)-1H-imidazole-5-carboxylic acid
CID 82306063
5-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-1-methyl-3H-indol-2-one
CID 79997257
5-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one
CID 9421508
5-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-4-carboxylic acid
CID 82488432
5-(3-amino-1,2,4-triazin-5-yl)-1-methyl-3H-indol-2-one
CID 82387510
5-(5-amino-3-pyridinyl)-1-methyl-3H-indol-2-one
CID 66793931
4-bromo-5-(1-methyl-2-oxo-3H-indol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 116858067
4-(1-methyl-2-oxo-3H-indol-5-yl)pyrimidine-2-carbonitrile
CID 116900839
5-[2-(hydroxymethyl)pyrimidin-4-yl]-1-methyl-3H-indol-2-one
CID 116899433

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methyl-3H-indol-2-one (CID 116887881) is 5-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methyl-3H-indol-2-one is Cc1nc(-c2ccc3c(c2)CC(=O)N3C)sc1Br.
What is the InChIKey of 5-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methyl-3H-indol-2-one?
The InChIKey is AEOCQGDRPQYBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2OS/c1-7-12(14)18-13(15-7)8-3-4-10-9(5-8)6-11(17)16(10)2/h3-5H,6H2,1-2H3.
What are the key properties of 5-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methyl-3H-indol-2-one?
5-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methyl-3H-indol-2-one has a molecular weight of 323.22 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 116887881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).