5-methoxy-2-(1,3-thiazol-5-ylmethoxy)benzaldehyde

C12H11NO3S — CID 112640692

IUPAC5-methoxy-2-(1,3-thiazol-5-ylmethoxy)benzaldehyde
SMILESCOc1ccc(OCc2cncs2)c(C=O)c1
InChIInChI=1S/C12H11NO3S/c1-15-10-2-3-12(9(4-10)6-14)16-7-11-5-13-8-17-11/h2-6,8H,7H2,1H3
InChIKeyDYDOWUSUWAWDFW-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.54
Rot. Bonds5

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

5-methoxy-2-(1,3-thiazol-5-ylmethoxy)benzaldehyde (PubChem CID 112640692) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 5-methoxy-2-(1,3-thiazol-5-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name5-methoxy-2-(1,3-thiazol-5-ylmethoxy)benzaldehyde
PubChem CID112640692
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name5-methoxy-2-(1,3-thiazol-5-ylmethoxy)benzaldehyde
SMILESCOc1ccc(OCc2cncs2)c(C=O)c1
InChIInChI=1S/C12H11NO3S/c1-15-10-2-3-12(9(4-10)6-14)16-7-11-5-13-8-17-11/h2-6,8H,7H2,1H3
InChIKeyDYDOWUSUWAWDFW-UHFFFAOYSA-N
XLogP2.54
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.54
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

5-[[2-(bromomethyl)-4-methoxyphenoxy]methyl]-1,3-thiazole
CID 112641129
[5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
CID 112640291
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone
CID 112640642
2-bromo-5-(1,3-thiazol-5-ylmethoxy)benzaldehyde
CID 112640713
(E)-3-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]prop-2-enoic acid
CID 115979059
5-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1,3-thiazole
CID 112641147
2-[(5-bromothiophen-2-yl)methoxy]-5-methoxybenzaldehyde
CID 43267878
[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanol
CID 112641042
N-[[5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115978924
2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864
2-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
CID 112643613
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 112640362

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(1,3-thiazol-5-ylmethoxy)benzaldehyde?
The IUPAC name of 5-methoxy-2-(1,3-thiazol-5-ylmethoxy)benzaldehyde (CID 112640692) is 5-methoxy-2-(1,3-thiazol-5-ylmethoxy)benzaldehyde.
What is the SMILES notation for 5-methoxy-2-(1,3-thiazol-5-ylmethoxy)benzaldehyde?
The canonical SMILES for 5-methoxy-2-(1,3-thiazol-5-ylmethoxy)benzaldehyde is COc1ccc(OCc2cncs2)c(C=O)c1.
What is the InChIKey of 5-methoxy-2-(1,3-thiazol-5-ylmethoxy)benzaldehyde?
The InChIKey is DYDOWUSUWAWDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-15-10-2-3-12(9(4-10)6-14)16-7-11-5-13-8-17-11/h2-6,8H,7H2,1H3.
What are the key properties of 5-methoxy-2-(1,3-thiazol-5-ylmethoxy)benzaldehyde?
5-methoxy-2-(1,3-thiazol-5-ylmethoxy)benzaldehyde has a molecular weight of 249.29 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(1,3-thiazol-5-ylmethoxy)benzaldehyde is sourced from PubChem (CID 112640692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).