2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-4-one

C19H12Br2N4O3S — CID 5263422

IUPAC2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-4-one
SMILESO=C(CC1SC(/N=N/c2c(O)[nH]c3ccc(Br)cc23)=NC1=O)c1ccc(Br)cc1
InChIInChI=1S/C19H12Br2N4O3S/c20-10-3-1-9(2-4-10)14(26)8-15-17(27)23-19(29-15)25-24-16-12-7-11(21)5-6-13(12)22-18(16)28/h1-7,15,22,28H,8H2/b25-24+
InChIKeyUJCOXPMFZVBOTB-OCOZRVBESA-N
MW536.21 g/mol
LogP5.75
Rot. Bonds4

About 2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-4-one

2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-4-one (PubChem CID 5263422) has the molecular formula C19H12Br2N4O3S and a molecular weight of 536.21 g/mol. Its IUPAC name is 2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-4-one
PubChem CID5263422
Molecular FormulaC19H12Br2N4O3S
Molecular Weight536.21 g/mol
Exact Mass533.90
IUPAC Name2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-4-one
SMILESO=C(CC1SC(/N=N/c2c(O)[nH]c3ccc(Br)cc23)=NC1=O)c1ccc(Br)cc1
InChIInChI=1S/C19H12Br2N4O3S/c20-10-3-1-9(2-4-10)14(26)8-15-17(27)23-19(29-15)25-24-16-12-7-11(21)5-6-13(12)22-18(16)28/h1-7,15,22,28H,8H2/b25-24+
InChIKeyUJCOXPMFZVBOTB-OCOZRVBESA-N
XLogP5.75
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.21
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-4-one?
The IUPAC name of 2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-4-one (CID 5263422) is 2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-4-one.
What is the SMILES notation for 2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-4-one?
The canonical SMILES for 2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-4-one is O=C(CC1SC(/N=N/c2c(O)[nH]c3ccc(Br)cc23)=NC1=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-4-one?
The InChIKey is UJCOXPMFZVBOTB-OCOZRVBESA-N. The full InChI is InChI=1S/C19H12Br2N4O3S/c20-10-3-1-9(2-4-10)14(26)8-15-17(27)23-19(29-15)25-24-16-12-7-11(21)5-6-13(12)22-18(16)28/h1-7,15,22,28H,8H2/b25-24+.
What are the key properties of 2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-4-one?
2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-4-one has a molecular weight of 536.21 g/mol, XLogP of 5.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-4-one is sourced from PubChem (CID 5263422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).