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

C11H7BrN2O2S — CID 114102823

IUPAC3-(4-bromo-1,3-thiazol-5-yl)-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(O)c1scnc1Br
InChIInChI=1S/C11H7BrN2O2S/c12-9-8(17-5-13-9)11(16)6-3-1-2-4-7(6)14-10(11)15/h1-5,16H,(H,14,15)
InChIKeyQPJXUEYJVOVKKV-UHFFFAOYSA-N
MW311.16 g/mol
LogP2.09
Rot. Bonds1

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

3-(4-bromo-1,3-thiazol-5-yl)-3-hydroxy-1H-indol-2-one (PubChem CID 114102823) has the molecular formula C11H7BrN2O2S and a molecular weight of 311.16 g/mol. Its IUPAC name is 3-(4-bromo-1,3-thiazol-5-yl)-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name3-(4-bromo-1,3-thiazol-5-yl)-3-hydroxy-1H-indol-2-one
PubChem CID114102823
Molecular FormulaC11H7BrN2O2S
Molecular Weight311.16 g/mol
Exact Mass309.94
IUPAC Name3-(4-bromo-1,3-thiazol-5-yl)-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(O)c1scnc1Br
InChIInChI=1S/C11H7BrN2O2S/c12-9-8(17-5-13-9)11(16)6-3-1-2-4-7(6)14-10(11)15/h1-5,16H,(H,14,15)
InChIKeyQPJXUEYJVOVKKV-UHFFFAOYSA-N
XLogP2.09
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-hydroxy-3-(2-hydroxyphenyl)-1H-indol-2-one
CID 7102076
3-(2,6-difluorophenyl)-3-hydroxy-1H-indol-2-one
CID 83036180
3-(5-bromo-2-fluorophenyl)-3-hydroxy-1H-indol-2-one
CID 83037208
3-hydroxy-3-(4-sulfanylphenyl)-1H-indol-2-one
CID 178047804
(3R)-3-hydroxy-3-(2-methoxyphenyl)-1H-indol-2-one
CID 7333204
3-hydroxy-3-(6-methoxy-3-pyridinyl)-1H-indol-2-one
CID 163232483
(3S)-3-hydroxy-3-(1H-indol-3-yl)-1H-indol-2-one
CID 757506
3,3-dichloro-1H-indol-2-one
CID 719018
3-hydroxy-3-(1H-indol-2-yl)-1H-indol-2-one
CID 56687828
3-hydroxy-3-(1-propylimidazol-2-yl)-1H-indol-2-one
CID 83035136
3-(3-ethoxyphenyl)-3-hydroxy-1H-indol-2-one
CID 83036799
3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one
CID 4555359

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1,3-thiazol-5-yl)-3-hydroxy-1H-indol-2-one?
The IUPAC name of 3-(4-bromo-1,3-thiazol-5-yl)-3-hydroxy-1H-indol-2-one (CID 114102823) is 3-(4-bromo-1,3-thiazol-5-yl)-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 3-(4-bromo-1,3-thiazol-5-yl)-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 3-(4-bromo-1,3-thiazol-5-yl)-3-hydroxy-1H-indol-2-one is O=C1Nc2ccccc2C1(O)c1scnc1Br.
What is the InChIKey of 3-(4-bromo-1,3-thiazol-5-yl)-3-hydroxy-1H-indol-2-one?
The InChIKey is QPJXUEYJVOVKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O2S/c12-9-8(17-5-13-9)11(16)6-3-1-2-4-7(6)14-10(11)15/h1-5,16H,(H,14,15).
What are the key properties of 3-(4-bromo-1,3-thiazol-5-yl)-3-hydroxy-1H-indol-2-one?
3-(4-bromo-1,3-thiazol-5-yl)-3-hydroxy-1H-indol-2-one has a molecular weight of 311.16 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1,3-thiazol-5-yl)-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 114102823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).