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

C10H6N2OS — CID 21019575

IUPAC[1,3]thiazolo[3,2-a]benzimidazole-6-carbaldehyde
SMILESO=Cc1ccc2c(c1)nc1sccn12
InChIInChI=1S/C10H6N2OS/c13-6-7-1-2-9-8(5-7)11-10-12(9)3-4-14-10/h1-6H
InChIKeyFIXBOZJGISXYFN-UHFFFAOYSA-N
MW202.24 g/mol
LogP2.36
Rot. Bonds1

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

[1,3]thiazolo[3,2-a]benzimidazole-6-carbaldehyde (PubChem CID 21019575) has the molecular formula C10H6N2OS and a molecular weight of 202.24 g/mol. Its IUPAC name is [1,3]thiazolo[3,2-a]benzimidazole-6-carbaldehyde.

Molecular Properties

Compound Name[1,3]thiazolo[3,2-a]benzimidazole-6-carbaldehyde
PubChem CID21019575
Molecular FormulaC10H6N2OS
Molecular Weight202.24 g/mol
Exact Mass202.02
IUPAC Name[1,3]thiazolo[3,2-a]benzimidazole-6-carbaldehyde
SMILESO=Cc1ccc2c(c1)nc1sccn12
InChIInChI=1S/C10H6N2OS/c13-6-7-1-2-9-8(5-7)11-10-12(9)3-4-14-10/h1-6H
InChIKeyFIXBOZJGISXYFN-UHFFFAOYSA-N
XLogP2.36
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1,3]thiazolo[3,2-a]benzimidazole-6-carbaldehyde?
The IUPAC name of [1,3]thiazolo[3,2-a]benzimidazole-6-carbaldehyde (CID 21019575) is [1,3]thiazolo[3,2-a]benzimidazole-6-carbaldehyde.
What is the SMILES notation for [1,3]thiazolo[3,2-a]benzimidazole-6-carbaldehyde?
The canonical SMILES for [1,3]thiazolo[3,2-a]benzimidazole-6-carbaldehyde is O=Cc1ccc2c(c1)nc1sccn12.
What is the InChIKey of [1,3]thiazolo[3,2-a]benzimidazole-6-carbaldehyde?
The InChIKey is FIXBOZJGISXYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2OS/c13-6-7-1-2-9-8(5-7)11-10-12(9)3-4-14-10/h1-6H.
What are the key properties of [1,3]thiazolo[3,2-a]benzimidazole-6-carbaldehyde?
[1,3]thiazolo[3,2-a]benzimidazole-6-carbaldehyde has a molecular weight of 202.24 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]thiazolo[3,2-a]benzimidazole-6-carbaldehyde is sourced from PubChem (CID 21019575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).