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

C15H17NO3S — CID 62070822

IUPAC3-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzaldehyde
SMILESCCOc1cccc(C=O)c1OCCc1scnc1C
InChIInChI=1S/C15H17NO3S/c1-3-18-13-6-4-5-12(9-17)15(13)19-8-7-14-11(2)16-10-20-14/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyGWMVGDVLUDKTNH-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.28
Rot. Bonds7

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

3-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzaldehyde (PubChem CID 62070822) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 3-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzaldehyde.

Molecular Properties

Compound Name3-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzaldehyde
PubChem CID62070822
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name3-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzaldehyde
SMILESCCOc1cccc(C=O)c1OCCc1scnc1C
InChIInChI=1S/C15H17NO3S/c1-3-18-13-6-4-5-12(9-17)15(13)19-8-7-14-11(2)16-10-20-14/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyGWMVGDVLUDKTNH-UHFFFAOYSA-N
XLogP3.28
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.28
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-2-(3-ethoxypropoxy)benzaldehyde
CID 65175736
3-ethoxy-2-(3-phenylpropoxy)benzaldehyde
CID 43366508
3-(2-ethoxy-6-formylphenoxy)propanoic acid
CID 63950736
4-(2-ethoxy-6-formylphenoxy)butanenitrile
CID 43366511
3-ethoxy-2-(2-phenylsulfanylethoxy)benzaldehyde
CID 79227554
2-bromo-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzaldehyde
CID 81497170
3-[3-bromo-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]prop-2-enoic acid
CID 76933375
3-ethoxy-2-[3-(2,2,2-trifluoroethoxy)propoxy]benzaldehyde
CID 61491424
2-[(E)-3-chloroprop-2-enoxy]-3-ethoxybenzaldehyde
CID 43366499
3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde
CID 43174565
3-ethoxy-2-[(5-ethylthiophen-2-yl)methoxy]benzaldehyde
CID 43174566
2-ethoxybenzene-1,3-dicarbaldehyde
CID 15757941

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzaldehyde?
The IUPAC name of 3-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzaldehyde (CID 62070822) is 3-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzaldehyde.
What is the SMILES notation for 3-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzaldehyde?
The canonical SMILES for 3-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzaldehyde is CCOc1cccc(C=O)c1OCCc1scnc1C.
What is the InChIKey of 3-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzaldehyde?
The InChIKey is GWMVGDVLUDKTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-3-18-13-6-4-5-12(9-17)15(13)19-8-7-14-11(2)16-10-20-14/h4-6,9-10H,3,7-8H2,1-2H3.
What are the key properties of 3-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzaldehyde?
3-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzaldehyde has a molecular weight of 291.37 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzaldehyde is sourced from PubChem (CID 62070822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).