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

C9H11NO2S — CID 60998343

IUPAC2-(oxolan-2-ylmethyl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(CC2CCCO2)n1
InChIInChI=1S/C9H11NO2S/c11-5-7-6-13-9(10-7)4-8-2-1-3-12-8/h5-6,8H,1-4H2
InChIKeyQGUDOPMXBBFGSX-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.68
Rot. Bonds3

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

2-(oxolan-2-ylmethyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 60998343) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(oxolan-2-ylmethyl)-1,3-thiazole-4-carbaldehyde
PubChem CID60998343
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name2-(oxolan-2-ylmethyl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(CC2CCCO2)n1
InChIInChI=1S/C9H11NO2S/c11-5-7-6-13-9(10-7)4-8-2-1-3-12-8/h5-6,8H,1-4H2
InChIKeyQGUDOPMXBBFGSX-UHFFFAOYSA-N
XLogP1.68
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(oxolan-2-ylmethyl)-1,3-thiazole-4-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 2-(oxolan-2-ylmethyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(oxolan-2-ylmethyl)-1,3-thiazole-4-carbaldehyde (CID 60998343) is 2-(oxolan-2-ylmethyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(oxolan-2-ylmethyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(oxolan-2-ylmethyl)-1,3-thiazole-4-carbaldehyde is O=Cc1csc(CC2CCCO2)n1.
What is the InChIKey of 2-(oxolan-2-ylmethyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is QGUDOPMXBBFGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c11-5-7-6-13-9(10-7)4-8-2-1-3-12-8/h5-6,8H,1-4H2.
What are the key properties of 2-(oxolan-2-ylmethyl)-1,3-thiazole-4-carbaldehyde?
2-(oxolan-2-ylmethyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 197.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 60998343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).