4-(3,4-diethoxyphenyl)-1,3-thiazole-2-carbaldehyde

C14H15NO3S — CID 3744151

IUPAC4-(3,4-diethoxyphenyl)-1,3-thiazole-2-carbaldehyde
SMILESCCOc1ccc(-c2csc(C=O)n2)cc1OCC
InChIInChI=1S/C14H15NO3S/c1-3-17-12-6-5-10(7-13(12)18-4-2)11-9-19-14(8-16)15-11/h5-9H,3-4H2,1-2H3
InChIKeyFRPXNALTLCPMOU-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.42
Rot. Bonds6

About 4-(3,4-diethoxyphenyl)-1,3-thiazole-2-carbaldehyde

4-(3,4-diethoxyphenyl)-1,3-thiazole-2-carbaldehyde (PubChem CID 3744151) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is 4-(3,4-diethoxyphenyl)-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name4-(3,4-diethoxyphenyl)-1,3-thiazole-2-carbaldehyde
PubChem CID3744151
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC Name4-(3,4-diethoxyphenyl)-1,3-thiazole-2-carbaldehyde
SMILESCCOc1ccc(-c2csc(C=O)n2)cc1OCC
InChIInChI=1S/C14H15NO3S/c1-3-17-12-6-5-10(7-13(12)18-4-2)11-9-19-14(8-16)15-11/h5-9H,3-4H2,1-2H3
InChIKeyFRPXNALTLCPMOU-UHFFFAOYSA-N
XLogP3.42
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(3,4-diethoxyphenyl)-1,3-thiazole-2-carbaldehyde 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-(3,4-dimethoxyphenyl)-1,3-thiazole-2-carbaldehyde
CID 3454152
4-(6-methoxynaphthalen-2-yl)-1,3-thiazole-2-carbaldehyde
CID 116867332
4-(3-tert-butyl-4-phenylmethoxyphenyl)-1,3-thiazole-2-carbaldehyde
CID 3700203
4-(3,4-dimethoxyphenyl)-2-[(E)-2-(3-ethoxy-2-methoxyphenyl)ethenyl]-1,3-thiazole
CID 8865200
2-[4-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3468254
4-[4-(2-phenoxyethoxy)phenyl]-1,3-thiazole-2-carbaldehyde
CID 3676431
2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid
CID 97035954
N-[3-[[4-(3,4-diethoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565401
2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 53117968
4-phenyl-1,3-thiazole-2-carbaldehyde
CID 3538814
2-(bromomethyl)-4-(3-chloro-4-ethoxyphenyl)-1,3-thiazole
CID 116970308
2-[[4-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]benzoyl]amino]acetic acid
CID 19041001

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-diethoxyphenyl)-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 4-(3,4-diethoxyphenyl)-1,3-thiazole-2-carbaldehyde (CID 3744151) is 4-(3,4-diethoxyphenyl)-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 4-(3,4-diethoxyphenyl)-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 4-(3,4-diethoxyphenyl)-1,3-thiazole-2-carbaldehyde is CCOc1ccc(-c2csc(C=O)n2)cc1OCC.
What is the InChIKey of 4-(3,4-diethoxyphenyl)-1,3-thiazole-2-carbaldehyde?
The InChIKey is FRPXNALTLCPMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-3-17-12-6-5-10(7-13(12)18-4-2)11-9-19-14(8-16)15-11/h5-9H,3-4H2,1-2H3.
What are the key properties of 4-(3,4-diethoxyphenyl)-1,3-thiazole-2-carbaldehyde?
4-(3,4-diethoxyphenyl)-1,3-thiazole-2-carbaldehyde has a molecular weight of 277.34 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-diethoxyphenyl)-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 3744151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).