5-ethoxy-2-(1,3-thiazol-4-ylmethoxy)benzaldehyde

C13H13NO3S — CID 16769568

IUPAC5-ethoxy-2-(1,3-thiazol-4-ylmethoxy)benzaldehyde
SMILESCCOc1ccc(OCc2cscn2)c(C=O)c1
InChIInChI=1S/C13H13NO3S/c1-2-16-12-3-4-13(10(5-12)6-15)17-7-11-8-18-9-14-11/h3-6,8-9H,2,7H2,1H3
InChIKeyIHQYQIXIYHWLQK-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.93
Rot. Bonds6

About 5-ethoxy-2-(1,3-thiazol-4-ylmethoxy)benzaldehyde

5-ethoxy-2-(1,3-thiazol-4-ylmethoxy)benzaldehyde (PubChem CID 16769568) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 5-ethoxy-2-(1,3-thiazol-4-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name5-ethoxy-2-(1,3-thiazol-4-ylmethoxy)benzaldehyde
PubChem CID16769568
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name5-ethoxy-2-(1,3-thiazol-4-ylmethoxy)benzaldehyde
SMILESCCOc1ccc(OCc2cscn2)c(C=O)c1
InChIInChI=1S/C13H13NO3S/c1-2-16-12-3-4-13(10(5-12)6-15)17-7-11-8-18-9-14-11/h3-6,8-9H,2,7H2,1H3
InChIKeyIHQYQIXIYHWLQK-UHFFFAOYSA-N
XLogP2.93
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.93
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-(1,3-thiazol-4-ylmethoxy)benzoic acid
CID 16769585
2,5-diethoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60696576
2-(1,3-thiazol-4-ylmethoxy)naphthalene-1-carbaldehyde
CID 43505591
2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864
5-methoxy-2-[(2-phenyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 24617834
5-methoxy-2-(1,3-thiazol-5-ylmethoxy)benzaldehyde
CID 112640692
[5-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanol
CID 43267936
(4-ethoxy-2-formylphenyl)boronic acid
CID 52987974
2-ethoxy-5-thiophen-3-ylbenzaldehyde
CID 172650297
N-[[5-nitro-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine
CID 60890172
(E)-3-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-enoic acid
CID 16769432
5-methoxy-2-undecoxybenzaldehyde
CID 15617492

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(1,3-thiazol-4-ylmethoxy)benzaldehyde?
The IUPAC name of 5-ethoxy-2-(1,3-thiazol-4-ylmethoxy)benzaldehyde (CID 16769568) is 5-ethoxy-2-(1,3-thiazol-4-ylmethoxy)benzaldehyde.
What is the SMILES notation for 5-ethoxy-2-(1,3-thiazol-4-ylmethoxy)benzaldehyde?
The canonical SMILES for 5-ethoxy-2-(1,3-thiazol-4-ylmethoxy)benzaldehyde is CCOc1ccc(OCc2cscn2)c(C=O)c1.
What is the InChIKey of 5-ethoxy-2-(1,3-thiazol-4-ylmethoxy)benzaldehyde?
The InChIKey is IHQYQIXIYHWLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-2-16-12-3-4-13(10(5-12)6-15)17-7-11-8-18-9-14-11/h3-6,8-9H,2,7H2,1H3.
What are the key properties of 5-ethoxy-2-(1,3-thiazol-4-ylmethoxy)benzaldehyde?
5-ethoxy-2-(1,3-thiazol-4-ylmethoxy)benzaldehyde has a molecular weight of 263.32 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(1,3-thiazol-4-ylmethoxy)benzaldehyde is sourced from PubChem (CID 16769568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).