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

C18H15NO2S — CID 32758569

IUPAC4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde
SMILESCc1ccc(-c2nc(COc3ccc(C=O)cc3)cs2)cc1
InChIInChI=1S/C18H15NO2S/c1-13-2-6-15(7-3-13)18-19-16(12-22-18)11-21-17-8-4-14(10-20)5-9-17/h2-10,12H,11H2,1H3
InChIKeyDRJBJEBYBUYZSO-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.51
Rot. Bonds5

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

4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde (PubChem CID 32758569) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde
PubChem CID32758569
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Name4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde
SMILESCc1ccc(-c2nc(COc3ccc(C=O)cc3)cs2)cc1
InChIInChI=1S/C18H15NO2S/c1-13-2-6-15(7-3-13)18-19-16(12-22-18)11-21-17-8-4-14(10-20)5-9-17/h2-10,12H,11H2,1H3
InChIKeyDRJBJEBYBUYZSO-UHFFFAOYSA-N
XLogP4.51
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
3-methoxy-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 51297612
4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 52554108
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 7753509
2-(4-fluorophenyl)-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole
CID 51327833
methyl 4-[[2-(4-carbamoylphenyl)-1,3-thiazol-4-yl]methoxy]benzoate
CID 60564920
2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid
CID 86776513
1-[4-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]phenyl]ethanol
CID 18956566
5-methoxy-2-[(2-phenyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 24617834
4-(chloromethyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 43322647
N-methyl-1-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 106486267

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde?
The IUPAC name of 4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde (CID 32758569) is 4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde.
What is the SMILES notation for 4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde?
The canonical SMILES for 4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde is Cc1ccc(-c2nc(COc3ccc(C=O)cc3)cs2)cc1.
What is the InChIKey of 4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde?
The InChIKey is DRJBJEBYBUYZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S/c1-13-2-6-15(7-3-13)18-19-16(12-22-18)11-21-17-8-4-14(10-20)5-9-17/h2-10,12H,11H2,1H3.
What are the key properties of 4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde?
4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde has a molecular weight of 309.39 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde is sourced from PubChem (CID 32758569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).