2-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-4-oxo-1,3-thiazol-5-yl]-N-(4-chlorophenyl)acetamide

C19H13BrClN5O3S — CID 135707066

About 2-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-4-oxo-1,3-thiazol-5-yl]-N-(4-chlorophenyl)acetamide

2-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-4-oxo-1,3-thiazol-5-yl]-N-(4-chlorophenyl)acetamide (PubChem CID 135707066) has the molecular formula C19H13BrClN5O3S and a molecular weight of 506.77 g/mol. Its IUPAC name is 2-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-4-oxo-1,3-thiazol-5-yl]-N-(4-chlorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-4-oxo-1,3-thiazol-5-yl]-N-(4-chlorophenyl)acetamide
• PubChem CID: 135707066
• Molecular Formula: C19H13BrClN5O3S
• Molecular Weight: 506.77 g/mol
• Exact Mass: 504.96
• IUPAC Name: 2-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-4-oxo-1,3-thiazol-5-yl]-N-(4-chlorophenyl)acetamide
• SMILES: O=C(CC1SC(/N=N/c2c(O)[nH]c3ccc(Br)cc23)=NC1=O)Nc1ccc(Cl)cc1
• InChI: InChI=1S/C19H13BrClN5O3S/c20-9-1-6-13-12(7-9)16(18(29)23-13)25-26-19-24-17(28)14(30-19)8-15(27)22-11-4-2-10(21)3-5-11/h1-7,14,23,29H,8H2,(H,22,27)/b26-25+
• InChIKey: UCDVTCUGZMXMBJ-OCEACIFDSA-N
• XLogP: 5.40
• TPSA: 119.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.77
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-4-oxo-1,3-thiazol-5-yl]-N-(4-chlorophenyl)acetamide?

The IUPAC name of 2-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-4-oxo-1,3-thiazol-5-yl]-N-(4-chlorophenyl)acetamide (CID 135707066) is 2-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-4-oxo-1,3-thiazol-5-yl]-N-(4-chlorophenyl)acetamide.

What is the SMILES notation for 2-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-4-oxo-1,3-thiazol-5-yl]-N-(4-chlorophenyl)acetamide?

The canonical SMILES for 2-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-4-oxo-1,3-thiazol-5-yl]-N-(4-chlorophenyl)acetamide is O=C(CC1SC(/N=N/c2c(O)[nH]c3ccc(Br)cc23)=NC1=O)Nc1ccc(Cl)cc1.

What is the InChIKey of 2-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-4-oxo-1,3-thiazol-5-yl]-N-(4-chlorophenyl)acetamide?

The InChIKey is UCDVTCUGZMXMBJ-OCEACIFDSA-N. The full InChI is InChI=1S/C19H13BrClN5O3S/c20-9-1-6-13-12(7-9)16(18(29)23-13)25-26-19-24-17(28)14(30-19)8-15(27)22-11-4-2-10(21)3-5-11/h1-7,14,23,29H,8H2,(H,22,27)/b26-25+.

What are the key properties of 2-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-4-oxo-1,3-thiazol-5-yl]-N-(4-chlorophenyl)acetamide?

2-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-4-oxo-1,3-thiazol-5-yl]-N-(4-chlorophenyl)acetamide has a molecular weight of 506.77 g/mol, XLogP of 5.40, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-4-oxo-1,3-thiazol-5-yl]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 135707066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).