2-(5-bromo-3-formylindol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C20H14BrN3O2S — CID 3626804

IUPAC2-(5-bromo-3-formylindol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=Cc1cn(CC(=O)Nc2nc(-c3ccccc3)cs2)c2ccc(Br)cc12
InChIInChI=1S/C20H14BrN3O2S/c21-15-6-7-18-16(8-15)14(11-25)9-24(18)10-19(26)23-20-22-17(12-27-20)13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,22,23,26)
InChIKeyWGSHELPVYZLCQV-UHFFFAOYSA-N
MW440.32 g/mol
LogP4.98
Rot. Bonds5

About 2-(5-bromo-3-formylindol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

2-(5-bromo-3-formylindol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 3626804) has the molecular formula C20H14BrN3O2S and a molecular weight of 440.32 g/mol. Its IUPAC name is 2-(5-bromo-3-formylindol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-3-formylindol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID3626804
Molecular FormulaC20H14BrN3O2S
Molecular Weight440.32 g/mol
Exact Mass439.00
IUPAC Name2-(5-bromo-3-formylindol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=Cc1cn(CC(=O)Nc2nc(-c3ccccc3)cs2)c2ccc(Br)cc12
InChIInChI=1S/C20H14BrN3O2S/c21-15-6-7-18-16(8-15)14(11-25)9-24(18)10-19(26)23-20-22-17(12-27-20)13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,22,23,26)
InChIKeyWGSHELPVYZLCQV-UHFFFAOYSA-N
XLogP4.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.32
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(5-bromo-3-formylindol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide 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-3-formylindol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(5-bromo-3-formylindol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 3626804) is 2-(5-bromo-3-formylindol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(5-bromo-3-formylindol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(5-bromo-3-formylindol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is O=Cc1cn(CC(=O)Nc2nc(-c3ccccc3)cs2)c2ccc(Br)cc12.
What is the InChIKey of 2-(5-bromo-3-formylindol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is WGSHELPVYZLCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3O2S/c21-15-6-7-18-16(8-15)14(11-25)9-24(18)10-19(26)23-20-22-17(12-27-20)13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,22,23,26).
What are the key properties of 2-(5-bromo-3-formylindol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-(5-bromo-3-formylindol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 440.32 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-formylindol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3626804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).