6-methoxy-[1,3]thiazolo[3,2-a]benzimidazole-2-carbaldehyde

C11H8N2O2S — CID 126617781

IUPAC6-methoxy-[1,3]thiazolo[3,2-a]benzimidazole-2-carbaldehyde
SMILESCOc1ccc2c(c1)nc1sc(C=O)cn12
InChIInChI=1S/C11H8N2O2S/c1-15-7-2-3-10-9(4-7)12-11-13(10)5-8(6-14)16-11/h2-6H,1H3
InChIKeyFWWMYKAYRJDQBF-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.37
Rot. Bonds2

About 6-methoxy-[1,3]thiazolo[3,2-a]benzimidazole-2-carbaldehyde

6-methoxy-[1,3]thiazolo[3,2-a]benzimidazole-2-carbaldehyde (PubChem CID 126617781) has the molecular formula C11H8N2O2S and a molecular weight of 232.26 g/mol. Its IUPAC name is 6-methoxy-[1,3]thiazolo[3,2-a]benzimidazole-2-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-[1,3]thiazolo[3,2-a]benzimidazole-2-carbaldehyde
PubChem CID126617781
Molecular FormulaC11H8N2O2S
Molecular Weight232.26 g/mol
Exact Mass232.03
IUPAC Name6-methoxy-[1,3]thiazolo[3,2-a]benzimidazole-2-carbaldehyde
SMILESCOc1ccc2c(c1)nc1sc(C=O)cn12
InChIInChI=1S/C11H8N2O2S/c1-15-7-2-3-10-9(4-7)12-11-13(10)5-8(6-14)16-11/h2-6H,1H3
InChIKeyFWWMYKAYRJDQBF-UHFFFAOYSA-N
XLogP2.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-methoxy-[1,3]thiazolo[3,2-a]benzimidazole-2-carbaldehyde 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 6-methoxy-[1,3]thiazolo[3,2-a]benzimidazole-2-carbaldehyde?
The IUPAC name of 6-methoxy-[1,3]thiazolo[3,2-a]benzimidazole-2-carbaldehyde (CID 126617781) is 6-methoxy-[1,3]thiazolo[3,2-a]benzimidazole-2-carbaldehyde.
What is the SMILES notation for 6-methoxy-[1,3]thiazolo[3,2-a]benzimidazole-2-carbaldehyde?
The canonical SMILES for 6-methoxy-[1,3]thiazolo[3,2-a]benzimidazole-2-carbaldehyde is COc1ccc2c(c1)nc1sc(C=O)cn12.
What is the InChIKey of 6-methoxy-[1,3]thiazolo[3,2-a]benzimidazole-2-carbaldehyde?
The InChIKey is FWWMYKAYRJDQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2S/c1-15-7-2-3-10-9(4-7)12-11-13(10)5-8(6-14)16-11/h2-6H,1H3.
What are the key properties of 6-methoxy-[1,3]thiazolo[3,2-a]benzimidazole-2-carbaldehyde?
6-methoxy-[1,3]thiazolo[3,2-a]benzimidazole-2-carbaldehyde has a molecular weight of 232.26 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-[1,3]thiazolo[3,2-a]benzimidazole-2-carbaldehyde is sourced from PubChem (CID 126617781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).