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

C20H19NO4S — CID 51297612

IUPAC3-methoxy-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde
SMILESCOc1cc(C=O)ccc1OCc1csc(COc2ccc(C)cc2)n1
InChIInChI=1S/C20H19NO4S/c1-14-3-6-17(7-4-14)24-12-20-21-16(13-26-20)11-25-18-8-5-15(10-22)9-19(18)23-2/h3-10,13H,11-12H2,1-2H3
InChIKeyCKGXQLOQQPYJKM-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.43
Rot. Bonds8

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

3-methoxy-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde (PubChem CID 51297612) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is 3-methoxy-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde.

Molecular Properties

Compound Name3-methoxy-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde
PubChem CID51297612
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name3-methoxy-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde
SMILESCOc1cc(C=O)ccc1OCc1csc(COc2ccc(C)cc2)n1
InChIInChI=1S/C20H19NO4S/c1-14-3-6-17(7-4-14)24-12-20-21-16(13-26-20)11-25-18-8-5-15(10-22)9-19(18)23-2/h3-10,13H,11-12H2,1-2H3
InChIKeyCKGXQLOQQPYJKM-UHFFFAOYSA-N
XLogP4.43
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 2446566
3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 30767545
4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 52554108
4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 32758569
3-methoxy-4-(1,3-thiazol-2-ylmethoxy)benzaldehyde
CID 71670258
methyl 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-3-methoxybenzoate
CID 16625207
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 7753509
4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 10520099
4-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 27211250
4-[(2-chloro-4-nitrophenoxy)methyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 52545143
[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride
CID 127501309
4-[[4-(hydroxymethoxy)phenyl]methoxy]-3-methoxybenzaldehyde
CID 168793636

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde?
The IUPAC name of 3-methoxy-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde (CID 51297612) is 3-methoxy-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde.
What is the SMILES notation for 3-methoxy-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde?
The canonical SMILES for 3-methoxy-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde is COc1cc(C=O)ccc1OCc1csc(COc2ccc(C)cc2)n1.
What is the InChIKey of 3-methoxy-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde?
The InChIKey is CKGXQLOQQPYJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-14-3-6-17(7-4-14)24-12-20-21-16(13-26-20)11-25-18-8-5-15(10-22)9-19(18)23-2/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 3-methoxy-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde?
3-methoxy-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde has a molecular weight of 369.44 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde is sourced from PubChem (CID 51297612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).