4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)benzaldehyde

C13H11NO2S — CID 143281341

IUPAC4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)benzaldehyde
SMILESCC(=O)c1sc(-c2ccc(C=O)cc2)nc1C
InChIInChI=1S/C13H11NO2S/c1-8-12(9(2)16)17-13(14-8)11-5-3-10(7-15)4-6-11/h3-7H,1-2H3
InChIKeyFNPJAKPOHUFJBL-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.13
Rot. Bonds3

About 4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)benzaldehyde

4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)benzaldehyde (PubChem CID 143281341) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)benzaldehyde
PubChem CID143281341
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Name4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)benzaldehyde
SMILESCC(=O)c1sc(-c2ccc(C=O)cc2)nc1C
InChIInChI=1S/C13H11NO2S/c1-8-12(9(2)16)17-13(14-8)11-5-3-10(7-15)4-6-11/h3-7H,1-2H3
InChIKeyFNPJAKPOHUFJBL-UHFFFAOYSA-N
XLogP3.13
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)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

1-[2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 9173873
[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)phenyl] carbamate
CID 174459301
1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 66481650
1-[4-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-5-yl]ethanone
CID 51132603
1-[2-(3-hydroxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 61288983
(E)-3-(4-fluorophenyl)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]prop-2-en-1-one
CID 135812135
1-[2-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 82121319
(E)-3-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]prop-2-en-1-one
CID 135812145
1-[4-methyl-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-1,3-thiazol-5-yl]ethanone
CID 66647115
1-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanone
CID 61059598
4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 4319506
ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 136661905

Frequently Asked Questions

What is the IUPAC name of 4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)benzaldehyde?
The IUPAC name of 4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)benzaldehyde (CID 143281341) is 4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)benzaldehyde.
What is the SMILES notation for 4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)benzaldehyde?
The canonical SMILES for 4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)benzaldehyde is CC(=O)c1sc(-c2ccc(C=O)cc2)nc1C.
What is the InChIKey of 4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)benzaldehyde?
The InChIKey is FNPJAKPOHUFJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c1-8-12(9(2)16)17-13(14-8)11-5-3-10(7-15)4-6-11/h3-7H,1-2H3.
What are the key properties of 4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)benzaldehyde?
4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)benzaldehyde has a molecular weight of 245.30 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)benzaldehyde is sourced from PubChem (CID 143281341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).