2-(oxolan-2-yl)-1,3-thiazole-4-carbaldehyde

C8H9NO2S — CID 65331291

IUPAC2-(oxolan-2-yl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(C2CCCO2)n1
InChIInChI=1S/C8H9NO2S/c10-4-6-5-12-8(9-6)7-2-1-3-11-7/h4-5,7H,1-3H2
InChIKeyGKSXANHHHVNTEY-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.81
Rot. Bonds2

About 2-(oxolan-2-yl)-1,3-thiazole-4-carbaldehyde

2-(oxolan-2-yl)-1,3-thiazole-4-carbaldehyde (PubChem CID 65331291) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(oxolan-2-yl)-1,3-thiazole-4-carbaldehyde
PubChem CID65331291
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name2-(oxolan-2-yl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(C2CCCO2)n1
InChIInChI=1S/C8H9NO2S/c10-4-6-5-12-8(9-6)7-2-1-3-11-7/h4-5,7H,1-3H2
InChIKeyGKSXANHHHVNTEY-UHFFFAOYSA-N
XLogP1.81
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.81
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 2-(oxolan-2-yl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(oxolan-2-yl)-1,3-thiazole-4-carbaldehyde (CID 65331291) is 2-(oxolan-2-yl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(oxolan-2-yl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(oxolan-2-yl)-1,3-thiazole-4-carbaldehyde is O=Cc1csc(C2CCCO2)n1.
What is the InChIKey of 2-(oxolan-2-yl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is GKSXANHHHVNTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c10-4-6-5-12-8(9-6)7-2-1-3-11-7/h4-5,7H,1-3H2.
What are the key properties of 2-(oxolan-2-yl)-1,3-thiazole-4-carbaldehyde?
2-(oxolan-2-yl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 183.23 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 65331291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).