2-(1-ethoxy-2-methylpropyl)-1,3-thiazole-5-carbaldehyde

C10H15NO2S — CID 116727320

IUPAC2-(1-ethoxy-2-methylpropyl)-1,3-thiazole-5-carbaldehyde
SMILESCCOC(c1ncc(C=O)s1)C(C)C
InChIInChI=1S/C10H15NO2S/c1-4-13-9(7(2)3)10-11-5-8(6-12)14-10/h5-7,9H,4H2,1-3H3
InChIKeyBPVVWEGPQCOFFM-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.69
Rot. Bonds5

About 2-(1-ethoxy-2-methylpropyl)-1,3-thiazole-5-carbaldehyde

2-(1-ethoxy-2-methylpropyl)-1,3-thiazole-5-carbaldehyde (PubChem CID 116727320) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-(1-ethoxy-2-methylpropyl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(1-ethoxy-2-methylpropyl)-1,3-thiazole-5-carbaldehyde
PubChem CID116727320
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2-(1-ethoxy-2-methylpropyl)-1,3-thiazole-5-carbaldehyde
SMILESCCOC(c1ncc(C=O)s1)C(C)C
InChIInChI=1S/C10H15NO2S/c1-4-13-9(7(2)3)10-11-5-8(6-12)14-10/h5-7,9H,4H2,1-3H3
InChIKeyBPVVWEGPQCOFFM-UHFFFAOYSA-N
XLogP2.69
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1-ethoxy-2-methylpropyl)-1,3-thiazole-5-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-(1-ethoxy-2-methylpropyl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(1-ethoxy-2-methylpropyl)-1,3-thiazole-5-carbaldehyde (CID 116727320) is 2-(1-ethoxy-2-methylpropyl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(1-ethoxy-2-methylpropyl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(1-ethoxy-2-methylpropyl)-1,3-thiazole-5-carbaldehyde is CCOC(c1ncc(C=O)s1)C(C)C.
What is the InChIKey of 2-(1-ethoxy-2-methylpropyl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is BPVVWEGPQCOFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-4-13-9(7(2)3)10-11-5-8(6-12)14-10/h5-7,9H,4H2,1-3H3.
What are the key properties of 2-(1-ethoxy-2-methylpropyl)-1,3-thiazole-5-carbaldehyde?
2-(1-ethoxy-2-methylpropyl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 213.30 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2-methylpropyl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 116727320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).