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

C17H10BrN3O2S — CID 1184347

IUPAC3-(2-anilino-4-hydroxy-1,3-thiazol-5-yl)-5-bromoindol-2-one
SMILESO=C1N=c2ccc(Br)cc2=C1c1sc(Nc2ccccc2)nc1O
InChIInChI=1S/C17H10BrN3O2S/c18-9-6-7-12-11(8-9)13(15(22)20-12)14-16(23)21-17(24-14)19-10-4-2-1-3-5-10/h1-8,23H,(H,19,21)
InChIKeyUQDUIOYYRJYDEW-UHFFFAOYSA-N
MW400.26 g/mol
LogP2.71
Rot. Bonds3

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

3-(2-anilino-4-hydroxy-1,3-thiazol-5-yl)-5-bromoindol-2-one (PubChem CID 1184347) has the molecular formula C17H10BrN3O2S and a molecular weight of 400.26 g/mol. Its IUPAC name is 3-(2-anilino-4-hydroxy-1,3-thiazol-5-yl)-5-bromoindol-2-one.

Molecular Properties

Compound Name3-(2-anilino-4-hydroxy-1,3-thiazol-5-yl)-5-bromoindol-2-one
PubChem CID1184347
Molecular FormulaC17H10BrN3O2S
Molecular Weight400.26 g/mol
Exact Mass398.97
IUPAC Name3-(2-anilino-4-hydroxy-1,3-thiazol-5-yl)-5-bromoindol-2-one
SMILESO=C1N=c2ccc(Br)cc2=C1c1sc(Nc2ccccc2)nc1O
InChIInChI=1S/C17H10BrN3O2S/c18-9-6-7-12-11(8-9)13(15(22)20-12)14-16(23)21-17(24-14)19-10-4-2-1-3-5-10/h1-8,23H,(H,19,21)
InChIKeyUQDUIOYYRJYDEW-UHFFFAOYSA-N
XLogP2.71
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.26
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-anilino-4-hydroxy-1,3-thiazol-5-yl)-5-bromoindol-2-one?
The IUPAC name of 3-(2-anilino-4-hydroxy-1,3-thiazol-5-yl)-5-bromoindol-2-one (CID 1184347) is 3-(2-anilino-4-hydroxy-1,3-thiazol-5-yl)-5-bromoindol-2-one.
What is the SMILES notation for 3-(2-anilino-4-hydroxy-1,3-thiazol-5-yl)-5-bromoindol-2-one?
The canonical SMILES for 3-(2-anilino-4-hydroxy-1,3-thiazol-5-yl)-5-bromoindol-2-one is O=C1N=c2ccc(Br)cc2=C1c1sc(Nc2ccccc2)nc1O.
What is the InChIKey of 3-(2-anilino-4-hydroxy-1,3-thiazol-5-yl)-5-bromoindol-2-one?
The InChIKey is UQDUIOYYRJYDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrN3O2S/c18-9-6-7-12-11(8-9)13(15(22)20-12)14-16(23)21-17(24-14)19-10-4-2-1-3-5-10/h1-8,23H,(H,19,21).
What are the key properties of 3-(2-anilino-4-hydroxy-1,3-thiazol-5-yl)-5-bromoindol-2-one?
3-(2-anilino-4-hydroxy-1,3-thiazol-5-yl)-5-bromoindol-2-one has a molecular weight of 400.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-anilino-4-hydroxy-1,3-thiazol-5-yl)-5-bromoindol-2-one is sourced from PubChem (CID 1184347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).