2-(3-methoxy-1,2-thiazol-5-yl)acetaldehyde

C6H7NO2S — CID 131026775

IUPAC2-(3-methoxy-1,2-thiazol-5-yl)acetaldehyde
SMILESCOc1cc(CC=O)sn1
InChIInChI=1S/C6H7NO2S/c1-9-6-4-5(2-3-8)10-7-6/h3-4H,2H2,1H3
InChIKeyQMAKBZRKSGJBHQ-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.89
Rot. Bonds3

About 2-(3-methoxy-1,2-thiazol-5-yl)acetaldehyde

2-(3-methoxy-1,2-thiazol-5-yl)acetaldehyde (PubChem CID 131026775) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 2-(3-methoxy-1,2-thiazol-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-methoxy-1,2-thiazol-5-yl)acetaldehyde
PubChem CID131026775
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name2-(3-methoxy-1,2-thiazol-5-yl)acetaldehyde
SMILESCOc1cc(CC=O)sn1
InChIInChI=1S/C6H7NO2S/c1-9-6-4-5(2-3-8)10-7-6/h3-4H,2H2,1H3
InChIKeyQMAKBZRKSGJBHQ-UHFFFAOYSA-N
XLogP0.89
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-methoxy-1,2-thiazol-5-yl)acetaldehyde 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-(3-methoxy-1,2-thiazol-5-yl)acetaldehyde?
The IUPAC name of 2-(3-methoxy-1,2-thiazol-5-yl)acetaldehyde (CID 131026775) is 2-(3-methoxy-1,2-thiazol-5-yl)acetaldehyde.
What is the SMILES notation for 2-(3-methoxy-1,2-thiazol-5-yl)acetaldehyde?
The canonical SMILES for 2-(3-methoxy-1,2-thiazol-5-yl)acetaldehyde is COc1cc(CC=O)sn1.
What is the InChIKey of 2-(3-methoxy-1,2-thiazol-5-yl)acetaldehyde?
The InChIKey is QMAKBZRKSGJBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-9-6-4-5(2-3-8)10-7-6/h3-4H,2H2,1H3.
What are the key properties of 2-(3-methoxy-1,2-thiazol-5-yl)acetaldehyde?
2-(3-methoxy-1,2-thiazol-5-yl)acetaldehyde has a molecular weight of 157.19 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-1,2-thiazol-5-yl)acetaldehyde is sourced from PubChem (CID 131026775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).