3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde

C13H13NO3S — CID 2446566

IUPAC3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
SMILESCOc1cc(C=O)ccc1OCc1csc(C)n1
InChIInChI=1S/C13H13NO3S/c1-9-14-11(8-18-9)7-17-12-4-3-10(6-15)5-13(12)16-2/h3-6,8H,7H2,1-2H3
InChIKeyKQJKXBCWWWOERE-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.85
Rot. Bonds5

About 3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde

3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde (PubChem CID 2446566) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
PubChem CID2446566
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
SMILESCOc1cc(C=O)ccc1OCc1csc(C)n1
InChIInChI=1S/C13H13NO3S/c1-9-14-11(8-18-9)7-17-12-4-3-10(6-15)5-13(12)16-2/h3-6,8H,7H2,1-2H3
InChIKeyKQJKXBCWWWOERE-UHFFFAOYSA-N
XLogP2.85
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 16769172
3-methoxy-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 51297612
3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 30767545
(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanimine
CID 11926003
2-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 54930722
1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 43503813
(4Z)-2-(3,4-dimethoxyphenyl)-4-[[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 17483444
N-[4-[(4-formyl-2-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide
CID 38899618
3-methoxy-4-(1,3-thiazol-2-ylmethoxy)benzaldehyde
CID 71670258
6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carbaldehyde
CID 79035489
(3E)-5-chloro-3-[[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylidene]-1H-indol-2-one
CID 9252271
(E)-2-cyano-3-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-prop-2-enylprop-2-enamide
CID 9252323

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde?
The IUPAC name of 3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde (CID 2446566) is 3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde.
What is the SMILES notation for 3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde?
The canonical SMILES for 3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde is COc1cc(C=O)ccc1OCc1csc(C)n1.
What is the InChIKey of 3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde?
The InChIKey is KQJKXBCWWWOERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-9-14-11(8-18-9)7-17-12-4-3-10(6-15)5-13(12)16-2/h3-6,8H,7H2,1-2H3.
What are the key properties of 3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde?
3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde has a molecular weight of 263.32 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde is sourced from PubChem (CID 2446566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).