2-(5-bromo-2-oxo-1H-indol-3-ylidene)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one

C13H8BrN3O2S — CID 3872138

IUPAC2-(5-bromo-2-oxo-1H-indol-3-ylidene)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
SMILESO=C1Nc2ccc(Br)cc2C1=c1sc2n(c1=O)CCN=2
InChIInChI=1S/C13H8BrN3O2S/c14-6-1-2-8-7(5-6)9(11(18)16-8)10-12(19)17-4-3-15-13(17)20-10/h1-2,5H,3-4H2,(H,16,18)
InChIKeyYUMUDTPAHRHYDB-UHFFFAOYSA-N
MW350.20 g/mol
LogP0.46
Rot. Bonds

About 2-(5-bromo-2-oxo-1H-indol-3-ylidene)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one

2-(5-bromo-2-oxo-1H-indol-3-ylidene)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 3872138) has the molecular formula C13H8BrN3O2S and a molecular weight of 350.20 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1H-indol-3-ylidene)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1H-indol-3-ylidene)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
PubChem CID3872138
Molecular FormulaC13H8BrN3O2S
Molecular Weight350.20 g/mol
Exact Mass348.95
IUPAC Name2-(5-bromo-2-oxo-1H-indol-3-ylidene)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
SMILESO=C1Nc2ccc(Br)cc2C1=c1sc2n(c1=O)CCN=2
InChIInChI=1S/C13H8BrN3O2S/c14-6-1-2-8-7(5-6)9(11(18)16-8)10-12(19)17-4-3-15-13(17)20-10/h1-2,5H,3-4H2,(H,16,18)
InChIKeyYUMUDTPAHRHYDB-UHFFFAOYSA-N
XLogP0.46
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1H-indol-3-ylidene)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of 2-(5-bromo-2-oxo-1H-indol-3-ylidene)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one (CID 3872138) is 2-(5-bromo-2-oxo-1H-indol-3-ylidene)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for 2-(5-bromo-2-oxo-1H-indol-3-ylidene)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for 2-(5-bromo-2-oxo-1H-indol-3-ylidene)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one is O=C1Nc2ccc(Br)cc2C1=c1sc2n(c1=O)CCN=2.
What is the InChIKey of 2-(5-bromo-2-oxo-1H-indol-3-ylidene)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is YUMUDTPAHRHYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O2S/c14-6-1-2-8-7(5-6)9(11(18)16-8)10-12(19)17-4-3-15-13(17)20-10/h1-2,5H,3-4H2,(H,16,18).
What are the key properties of 2-(5-bromo-2-oxo-1H-indol-3-ylidene)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
2-(5-bromo-2-oxo-1H-indol-3-ylidene)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 350.20 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1H-indol-3-ylidene)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 3872138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).