5-bromo-3-[4-hydroxy-2-(4-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one

C17H10BrN3O3S — CID 1184346

IUPAC5-bromo-3-[4-hydroxy-2-(4-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one
SMILESO=C1N=c2ccc(Br)cc2=C1c1sc(Nc2ccc(O)cc2)nc1O
InChIInChI=1S/C17H10BrN3O3S/c18-8-1-6-12-11(7-8)13(15(23)20-12)14-16(24)21-17(25-14)19-9-2-4-10(22)5-3-9/h1-7,22,24H,(H,19,21)
InChIKeyRXGXFHOPLQSXMJ-UHFFFAOYSA-N
MW416.26 g/mol
LogP2.42
Rot. Bonds3

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

5-bromo-3-[4-hydroxy-2-(4-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one (PubChem CID 1184346) has the molecular formula C17H10BrN3O3S and a molecular weight of 416.26 g/mol. Its IUPAC name is 5-bromo-3-[4-hydroxy-2-(4-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

Compound Name5-bromo-3-[4-hydroxy-2-(4-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one
PubChem CID1184346
Molecular FormulaC17H10BrN3O3S
Molecular Weight416.26 g/mol
Exact Mass414.96
IUPAC Name5-bromo-3-[4-hydroxy-2-(4-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one
SMILESO=C1N=c2ccc(Br)cc2=C1c1sc(Nc2ccc(O)cc2)nc1O
InChIInChI=1S/C17H10BrN3O3S/c18-8-1-6-12-11(7-8)13(15(23)20-12)14-16(24)21-17(25-14)19-9-2-4-10(22)5-3-9/h1-7,22,24H,(H,19,21)
InChIKeyRXGXFHOPLQSXMJ-UHFFFAOYSA-N
XLogP2.42
TPSA94.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.26
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[4-hydroxy-2-(4-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one?
The IUPAC name of 5-bromo-3-[4-hydroxy-2-(4-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one (CID 1184346) is 5-bromo-3-[4-hydroxy-2-(4-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one.
What is the SMILES notation for 5-bromo-3-[4-hydroxy-2-(4-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one?
The canonical SMILES for 5-bromo-3-[4-hydroxy-2-(4-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one is O=C1N=c2ccc(Br)cc2=C1c1sc(Nc2ccc(O)cc2)nc1O.
What is the InChIKey of 5-bromo-3-[4-hydroxy-2-(4-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one?
The InChIKey is RXGXFHOPLQSXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrN3O3S/c18-8-1-6-12-11(7-8)13(15(23)20-12)14-16(24)21-17(25-14)19-9-2-4-10(22)5-3-9/h1-7,22,24H,(H,19,21).
What are the key properties of 5-bromo-3-[4-hydroxy-2-(4-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one?
5-bromo-3-[4-hydroxy-2-(4-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 416.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[4-hydroxy-2-(4-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 1184346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).