2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

C15H9BrN4O3S — CID 4500339

IUPAC2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCc1nn2c(=O)c(=C3C(=O)N(C)c4ccc(Br)cc43)sc2nc1=O
InChIInChI=1S/C15H9BrN4O3S/c1-6-12(21)17-15-20(18-6)14(23)11(24-15)10-8-5-7(16)3-4-9(8)19(2)13(10)22/h3-5H,1-2H3
InChIKeyWUEXHFLUCLGJKP-UHFFFAOYSA-N
MW405.23 g/mol
LogP0.48
Rot. Bonds

About 2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (PubChem CID 4500339) has the molecular formula C15H9BrN4O3S and a molecular weight of 405.23 g/mol. Its IUPAC name is 2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.

Molecular Properties

Compound Name2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
PubChem CID4500339
Molecular FormulaC15H9BrN4O3S
Molecular Weight405.23 g/mol
Exact Mass403.96
IUPAC Name2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCc1nn2c(=O)c(=C3C(=O)N(C)c4ccc(Br)cc43)sc2nc1=O
InChIInChI=1S/C15H9BrN4O3S/c1-6-12(21)17-15-20(18-6)14(23)11(24-15)10-8-5-7(16)3-4-9(8)19(2)13(10)22/h3-5H,1-2H3
InChIKeyWUEXHFLUCLGJKP-UHFFFAOYSA-N
XLogP0.48
TPSA84.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.23
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The IUPAC name of 2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (CID 4500339) is 2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
What is the SMILES notation for 2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The canonical SMILES for 2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is Cc1nn2c(=O)c(=C3C(=O)N(C)c4ccc(Br)cc43)sc2nc1=O.
What is the InChIKey of 2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The InChIKey is WUEXHFLUCLGJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN4O3S/c1-6-12(21)17-15-20(18-6)14(23)11(24-15)10-8-5-7(16)3-4-9(8)19(2)13(10)22/h3-5H,1-2H3.
What are the key properties of 2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione has a molecular weight of 405.23 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is sourced from PubChem (CID 4500339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).