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

C12H8BrN3O2S — CID 1206033

IUPAC5-bromo-3-(4-hydroxy-2-imino-3-methyl-1,3-thiazol-5-yl)indol-2-one
SMILES[H]/N=c1\sc(C2=c3cc(Br)ccc3=NC2=O)c(O)n1C
InChIInChI=1S/C12H8BrN3O2S/c1-16-11(18)9(19-12(16)14)8-6-4-5(13)2-3-7(6)15-10(8)17/h2-4,14,18H,1H3/b14-12-
InChIKeyUPVJAVOEDJTAHT-OWBHPGMISA-N
MW338.19 g/mol
LogP0.39
Rot. Bonds1

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

5-bromo-3-(4-hydroxy-2-imino-3-methyl-1,3-thiazol-5-yl)indol-2-one (PubChem CID 1206033) has the molecular formula C12H8BrN3O2S and a molecular weight of 338.19 g/mol. Its IUPAC name is 5-bromo-3-(4-hydroxy-2-imino-3-methyl-1,3-thiazol-5-yl)indol-2-one.

Molecular Properties

Compound Name5-bromo-3-(4-hydroxy-2-imino-3-methyl-1,3-thiazol-5-yl)indol-2-one
PubChem CID1206033
Molecular FormulaC12H8BrN3O2S
Molecular Weight338.19 g/mol
Exact Mass336.95
IUPAC Name5-bromo-3-(4-hydroxy-2-imino-3-methyl-1,3-thiazol-5-yl)indol-2-one
SMILES[H]/N=c1\sc(C2=c3cc(Br)ccc3=NC2=O)c(O)n1C
InChIInChI=1S/C12H8BrN3O2S/c1-16-11(18)9(19-12(16)14)8-6-4-5(13)2-3-7(6)15-10(8)17/h2-4,14,18H,1H3/b14-12-
InChIKeyUPVJAVOEDJTAHT-OWBHPGMISA-N
XLogP0.39
TPSA78.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-hydroxy-2-imino-3-methyl-1,3-thiazol-5-yl)indol-2-one?
The IUPAC name of 5-bromo-3-(4-hydroxy-2-imino-3-methyl-1,3-thiazol-5-yl)indol-2-one (CID 1206033) is 5-bromo-3-(4-hydroxy-2-imino-3-methyl-1,3-thiazol-5-yl)indol-2-one.
What is the SMILES notation for 5-bromo-3-(4-hydroxy-2-imino-3-methyl-1,3-thiazol-5-yl)indol-2-one?
The canonical SMILES for 5-bromo-3-(4-hydroxy-2-imino-3-methyl-1,3-thiazol-5-yl)indol-2-one is [H]/N=c1\sc(C2=c3cc(Br)ccc3=NC2=O)c(O)n1C.
What is the InChIKey of 5-bromo-3-(4-hydroxy-2-imino-3-methyl-1,3-thiazol-5-yl)indol-2-one?
The InChIKey is UPVJAVOEDJTAHT-OWBHPGMISA-N. The full InChI is InChI=1S/C12H8BrN3O2S/c1-16-11(18)9(19-12(16)14)8-6-4-5(13)2-3-7(6)15-10(8)17/h2-4,14,18H,1H3/b14-12-.
What are the key properties of 5-bromo-3-(4-hydroxy-2-imino-3-methyl-1,3-thiazol-5-yl)indol-2-one?
5-bromo-3-(4-hydroxy-2-imino-3-methyl-1,3-thiazol-5-yl)indol-2-one has a molecular weight of 338.19 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-hydroxy-2-imino-3-methyl-1,3-thiazol-5-yl)indol-2-one is sourced from PubChem (CID 1206033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).