5-bromo-2-(2,5-dimethylthiophen-3-yl)-1H-indole-3-carbaldehyde

C15H12BrNOS — CID 3446972

IUPAC5-bromo-2-(2,5-dimethylthiophen-3-yl)-1H-indole-3-carbaldehyde
SMILESCc1cc(-c2[nH]c3ccc(Br)cc3c2C=O)c(C)s1
InChIInChI=1S/C15H12BrNOS/c1-8-5-11(9(2)19-8)15-13(7-18)12-6-10(16)3-4-14(12)17-15/h3-7,17H,1-2H3
InChIKeyLYSJRCXLTVXDLJ-UHFFFAOYSA-N
MW334.24 g/mol
LogP5.09
Rot. Bonds2

About 5-bromo-2-(2,5-dimethylthiophen-3-yl)-1H-indole-3-carbaldehyde

5-bromo-2-(2,5-dimethylthiophen-3-yl)-1H-indole-3-carbaldehyde (PubChem CID 3446972) has the molecular formula C15H12BrNOS and a molecular weight of 334.24 g/mol. Its IUPAC name is 5-bromo-2-(2,5-dimethylthiophen-3-yl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-bromo-2-(2,5-dimethylthiophen-3-yl)-1H-indole-3-carbaldehyde
PubChem CID3446972
Molecular FormulaC15H12BrNOS
Molecular Weight334.24 g/mol
Exact Mass332.98
IUPAC Name5-bromo-2-(2,5-dimethylthiophen-3-yl)-1H-indole-3-carbaldehyde
SMILESCc1cc(-c2[nH]c3ccc(Br)cc3c2C=O)c(C)s1
InChIInChI=1S/C15H12BrNOS/c1-8-5-11(9(2)19-8)15-13(7-18)12-6-10(16)3-4-14(12)17-15/h3-7,17H,1-2H3
InChIKeyLYSJRCXLTVXDLJ-UHFFFAOYSA-N
XLogP5.09
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.24
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-2-(2,5-dimethylthiophen-3-yl)-1H-indole-3-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

2-(2,5-dimethylthiophen-3-yl)-7-fluoro-1H-indole-3-carbaldehyde
CID 3611207
5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-1H-indole-3-carbaldehyde
CID 3844698
5-chloro-2-(2,4-dimethylphenyl)-1H-indole-3-carbaldehyde
CID 3699647
2-(2-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde
CID 3790476
2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 4298784
2-(2,4-dimethylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde
CID 3655260
2-(5-ethylthiophen-2-yl)-5-methyl-1H-indole-3-carbaldehyde
CID 5238228
3-formyl-2-(5-methylthiophen-2-yl)-1H-indole-5-carbonitrile
CID 3261971
2-(2,5-dimethylphenyl)-1H-indole-3-carbaldehyde
CID 3268343
2-(2,5-dichlorothiophen-3-yl)-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide
CID 3489587
2-(2,6-difluorophenyl)-5-methyl-1H-indole-3-carbaldehyde
CID 87406474
2-(5-bromothiophen-2-yl)-1H-indole-3-carbaldehyde
CID 82050108

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,5-dimethylthiophen-3-yl)-1H-indole-3-carbaldehyde?
The IUPAC name of 5-bromo-2-(2,5-dimethylthiophen-3-yl)-1H-indole-3-carbaldehyde (CID 3446972) is 5-bromo-2-(2,5-dimethylthiophen-3-yl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-bromo-2-(2,5-dimethylthiophen-3-yl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-bromo-2-(2,5-dimethylthiophen-3-yl)-1H-indole-3-carbaldehyde is Cc1cc(-c2[nH]c3ccc(Br)cc3c2C=O)c(C)s1.
What is the InChIKey of 5-bromo-2-(2,5-dimethylthiophen-3-yl)-1H-indole-3-carbaldehyde?
The InChIKey is LYSJRCXLTVXDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNOS/c1-8-5-11(9(2)19-8)15-13(7-18)12-6-10(16)3-4-14(12)17-15/h3-7,17H,1-2H3.
What are the key properties of 5-bromo-2-(2,5-dimethylthiophen-3-yl)-1H-indole-3-carbaldehyde?
5-bromo-2-(2,5-dimethylthiophen-3-yl)-1H-indole-3-carbaldehyde has a molecular weight of 334.24 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,5-dimethylthiophen-3-yl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3446972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).