2-(1,3-thiazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde

C9H4N2O3S — CID 82392806

IUPAC2-(1,3-thiazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde
SMILESO=Cc1occ2nc(-c3cscn3)oc12
InChIInChI=1S/C9H4N2O3S/c12-1-7-8-5(2-13-7)11-9(14-8)6-3-15-4-10-6/h1-4H
InChIKeyFQWKDZVPHFHFAN-UHFFFAOYSA-N
MW220.21 g/mol
LogP2.36
Rot. Bonds2

About 2-(1,3-thiazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde

2-(1,3-thiazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde (PubChem CID 82392806) has the molecular formula C9H4N2O3S and a molecular weight of 220.21 g/mol. Its IUPAC name is 2-(1,3-thiazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde.

Molecular Properties

Compound Name2-(1,3-thiazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde
PubChem CID82392806
Molecular FormulaC9H4N2O3S
Molecular Weight220.21 g/mol
Exact Mass219.99
IUPAC Name2-(1,3-thiazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde
SMILESO=Cc1occ2nc(-c3cscn3)oc12
InChIInChI=1S/C9H4N2O3S/c12-1-7-8-5(2-13-7)11-9(14-8)6-3-15-4-10-6/h1-4H
InChIKeyFQWKDZVPHFHFAN-UHFFFAOYSA-N
XLogP2.36
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde?
The IUPAC name of 2-(1,3-thiazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde (CID 82392806) is 2-(1,3-thiazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde.
What is the SMILES notation for 2-(1,3-thiazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde?
The canonical SMILES for 2-(1,3-thiazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde is O=Cc1occ2nc(-c3cscn3)oc12.
What is the InChIKey of 2-(1,3-thiazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde?
The InChIKey is FQWKDZVPHFHFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4N2O3S/c12-1-7-8-5(2-13-7)11-9(14-8)6-3-15-4-10-6/h1-4H.
What are the key properties of 2-(1,3-thiazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde?
2-(1,3-thiazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde has a molecular weight of 220.21 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde is sourced from PubChem (CID 82392806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).