3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-bromoindol-2-one

C11H6BrN3O2S — CID 1268879

IUPAC3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-bromoindol-2-one
SMILESNc1nc(O)c(C2=c3cc(Br)ccc3=NC2=O)s1
InChIInChI=1S/C11H6BrN3O2S/c12-4-1-2-6-5(3-4)7(9(16)14-6)8-10(17)15-11(13)18-8/h1-3,17H,(H2,13,15)
InChIKeyXYUGRBRQYZARML-UHFFFAOYSA-N
MW324.16 g/mol
LogP0.55
Rot. Bonds1

About 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-bromoindol-2-one

3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-bromoindol-2-one (PubChem CID 1268879) has the molecular formula C11H6BrN3O2S and a molecular weight of 324.16 g/mol. Its IUPAC name is 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-bromoindol-2-one.

Molecular Properties

Compound Name3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-bromoindol-2-one
PubChem CID1268879
Molecular FormulaC11H6BrN3O2S
Molecular Weight324.16 g/mol
Exact Mass322.94
IUPAC Name3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-bromoindol-2-one
SMILESNc1nc(O)c(C2=c3cc(Br)ccc3=NC2=O)s1
InChIInChI=1S/C11H6BrN3O2S/c12-4-1-2-6-5(3-4)7(9(16)14-6)8-10(17)15-11(13)18-8/h1-3,17H,(H2,13,15)
InChIKeyXYUGRBRQYZARML-UHFFFAOYSA-N
XLogP0.55
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Fluoro-3-[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-2-one
CID 3581259
6-chloro-3-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)-7-methyl-1,3-dihydro-2H-indol-2-one
CID 1219114
(3Z)-7-ethyl-3-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one
CID 1221270
5-ethyl-3-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one
CID 1360058
4-chloro-3-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)-7-methyl-1,3-dihydro-2H-indol-2-one
CID 2168436
3-(2-Amino-4-hydroxy-1,3-thiazol-5-yl)-6-chloroindol-2-one
CID 136241022
3-[2-(Cyclopentylamino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one
CID 172464590
5,7-Dibromo-3-[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-2-one
CID 1205497
(5Z)-2-amino-5-(5-ethoxy-2-oxo-1H-indol-3-ylidene)-1,3-thiazol-4-one
CID 1342535
(5Z)-2-amino-5-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazol-4-one
CID 1396206
5-(5,7-Dimethyl-2-oxobenzo[d]azolin-3-ylidene)-2-imino-1,3-thiazolidin-4-one
CID 1360976
3-(2-amino-4-oxo-4H-thiazol-5-ylidene)-indolin-2-one
CID 843653

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-bromoindol-2-one?
The IUPAC name of 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-bromoindol-2-one (CID 1268879) is 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-bromoindol-2-one.
What is the SMILES notation for 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-bromoindol-2-one?
The canonical SMILES for 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-bromoindol-2-one is Nc1nc(O)c(C2=c3cc(Br)ccc3=NC2=O)s1.
What is the InChIKey of 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-bromoindol-2-one?
The InChIKey is XYUGRBRQYZARML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrN3O2S/c12-4-1-2-6-5(3-4)7(9(16)14-6)8-10(17)15-11(13)18-8/h1-3,17H,(H2,13,15).
What are the key properties of 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-bromoindol-2-one?
3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-bromoindol-2-one has a molecular weight of 324.16 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-bromoindol-2-one is sourced from PubChem (CID 1268879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).