3-ethoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzaldehyde

C14H15NO3S — CID 55134135

IUPAC3-ethoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzaldehyde
SMILESCCOc1cc(C=O)ccc1OCc1cnc(C)s1
InChIInChI=1S/C14H15NO3S/c1-3-17-14-6-11(8-16)4-5-13(14)18-9-12-7-15-10(2)19-12/h4-8H,3,9H2,1-2H3
InChIKeyPRVZKFZLPSJFKB-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.24
Rot. Bonds6

About 3-ethoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzaldehyde

3-ethoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzaldehyde (PubChem CID 55134135) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is 3-ethoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-ethoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzaldehyde
PubChem CID55134135
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC Name3-ethoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzaldehyde
SMILESCCOc1cc(C=O)ccc1OCc1cnc(C)s1
InChIInChI=1S/C14H15NO3S/c1-3-17-14-6-11(8-16)4-5-13(14)18-9-12-7-15-10(2)19-12/h4-8H,3,9H2,1-2H3
InChIKeyPRVZKFZLPSJFKB-UHFFFAOYSA-N
XLogP3.24
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 28782509
4-[(5-bromo-3-pyridinyl)methoxy]-3-ethoxybenzaldehyde
CID 115580518
3-ethoxy-4-[(4-iodophenyl)methoxy]benzaldehyde
CID 43826418
3-ethoxy-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
CID 30029294
3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde
CID 168878587
3-ethoxy-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 166173195
4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxybenzaldehyde
CID 79700724
ethyl 5-[(2-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate
CID 28913579
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-3-ethoxybenzaldehyde
CID 115582251
4-[(2-ethoxy-4-formylphenoxy)methyl]benzoate
CID 4745695
3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
CID 63019580
4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde
CID 174408807

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzaldehyde?
The IUPAC name of 3-ethoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzaldehyde (CID 55134135) is 3-ethoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzaldehyde.
What is the SMILES notation for 3-ethoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzaldehyde?
The canonical SMILES for 3-ethoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzaldehyde is CCOc1cc(C=O)ccc1OCc1cnc(C)s1.
What is the InChIKey of 3-ethoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzaldehyde?
The InChIKey is PRVZKFZLPSJFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-3-17-14-6-11(8-16)4-5-13(14)18-9-12-7-15-10(2)19-12/h4-8H,3,9H2,1-2H3.
What are the key properties of 3-ethoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzaldehyde?
3-ethoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzaldehyde has a molecular weight of 277.34 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzaldehyde is sourced from PubChem (CID 55134135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).