thieno[3,4-d][1,3]oxazole-2-carbaldehyde

C6H3NO2S — CID 82416977

IUPACthieno[3,4-d][1,3]oxazole-2-carbaldehyde
SMILESO=Cc1nc2cscc2o1
InChIInChI=1S/C6H3NO2S/c8-1-6-7-4-2-10-3-5(4)9-6/h1-3H
InChIKeyRBGTUZLVGOSSFW-UHFFFAOYSA-N
MW153.16 g/mol
LogP1.70
Rot. Bonds1

About thieno[3,4-d][1,3]oxazole-2-carbaldehyde

thieno[3,4-d][1,3]oxazole-2-carbaldehyde (PubChem CID 82416977) has the molecular formula C6H3NO2S and a molecular weight of 153.16 g/mol. Its IUPAC name is thieno[3,4-d][1,3]oxazole-2-carbaldehyde.

Molecular Properties

Compound Namethieno[3,4-d][1,3]oxazole-2-carbaldehyde
PubChem CID82416977
Molecular FormulaC6H3NO2S
Molecular Weight153.16 g/mol
Exact Mass152.99
IUPAC Namethieno[3,4-d][1,3]oxazole-2-carbaldehyde
SMILESO=Cc1nc2cscc2o1
InChIInChI=1S/C6H3NO2S/c8-1-6-7-4-2-10-3-5(4)9-6/h1-3H
InChIKeyRBGTUZLVGOSSFW-UHFFFAOYSA-N
XLogP1.70
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 51.70
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 thieno[3,4-d][1,3]oxazole-2-carbaldehyde?
The IUPAC name of thieno[3,4-d][1,3]oxazole-2-carbaldehyde (CID 82416977) is thieno[3,4-d][1,3]oxazole-2-carbaldehyde.
What is the SMILES notation for thieno[3,4-d][1,3]oxazole-2-carbaldehyde?
The canonical SMILES for thieno[3,4-d][1,3]oxazole-2-carbaldehyde is O=Cc1nc2cscc2o1.
What is the InChIKey of thieno[3,4-d][1,3]oxazole-2-carbaldehyde?
The InChIKey is RBGTUZLVGOSSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3NO2S/c8-1-6-7-4-2-10-3-5(4)9-6/h1-3H.
What are the key properties of thieno[3,4-d][1,3]oxazole-2-carbaldehyde?
thieno[3,4-d][1,3]oxazole-2-carbaldehyde has a molecular weight of 153.16 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,4-d][1,3]oxazole-2-carbaldehyde is sourced from PubChem (CID 82416977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).