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

C14H15NO4S — CID 16769172

IUPAC3,5-dimethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
SMILESCOc1cc(C=O)cc(OC)c1OCc1csc(C)n1
InChIInChI=1S/C14H15NO4S/c1-9-15-11(8-20-9)7-19-14-12(17-2)4-10(6-16)5-13(14)18-3/h4-6,8H,7H2,1-3H3
InChIKeyCMQJQQHCPXWSFW-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.86
Rot. Bonds6

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

3,5-dimethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde (PubChem CID 16769172) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is 3,5-dimethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3,5-dimethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
PubChem CID16769172
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name3,5-dimethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
SMILESCOc1cc(C=O)cc(OC)c1OCc1csc(C)n1
InChIInChI=1S/C14H15NO4S/c1-9-15-11(8-20-9)7-19-14-12(17-2)4-10(6-16)5-13(14)18-3/h4-6,8H,7H2,1-3H3
InChIKeyCMQJQQHCPXWSFW-UHFFFAOYSA-N
XLogP2.86
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.86
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-bromo-4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-methoxybenzaldehyde
CID 61484196
3-chloro-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 61487588
[3-chloro-5-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 60879593
4-[[4-[(4-formyl-2,6-dimethoxyphenoxy)methyl]-2,5-dimethoxyphenyl]methoxy]-3,5-dimethoxybenzaldehyde
CID 21037530
6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carbaldehyde
CID 79035489
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3,5-dimethoxybenzaldehyde
CID 43516639
3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde
CID 89120820
3-methoxy-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 51297612
(4Z)-2-(3,4-dimethoxyphenyl)-4-[[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 17483444
N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 8826639
(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanimine
CID 11926003

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde?
The IUPAC name of 3,5-dimethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde (CID 16769172) is 3,5-dimethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde.
What is the SMILES notation for 3,5-dimethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde?
The canonical SMILES for 3,5-dimethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde is COc1cc(C=O)cc(OC)c1OCc1csc(C)n1.
What is the InChIKey of 3,5-dimethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde?
The InChIKey is CMQJQQHCPXWSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-9-15-11(8-20-9)7-19-14-12(17-2)4-10(6-16)5-13(14)18-3/h4-6,8H,7H2,1-3H3.
What are the key properties of 3,5-dimethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde?
3,5-dimethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde has a molecular weight of 293.34 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde is sourced from PubChem (CID 16769172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).