4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-5-carbaldehyde

C12H11NOS2 — CID 116885669

IUPAC4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-5-carbaldehyde
SMILESCSc1ccc(-c2nc(C)c(C=O)s2)cc1
InChIInChI=1S/C12H11NOS2/c1-8-11(7-14)16-12(13-8)9-3-5-10(15-2)6-4-9/h3-7H,1-2H3
InChIKeyGWDJJEMCQNXKQG-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.65
Rot. Bonds3

About 4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-5-carbaldehyde

4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-5-carbaldehyde (PubChem CID 116885669) has the molecular formula C12H11NOS2 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-5-carbaldehyde
PubChem CID116885669
Molecular FormulaC12H11NOS2
Molecular Weight249.36 g/mol
Exact Mass249.03
IUPAC Name4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-5-carbaldehyde
SMILESCSc1ccc(-c2nc(C)c(C=O)s2)cc1
InChIInChI=1S/C12H11NOS2/c1-8-11(7-14)16-12(13-8)9-3-5-10(15-2)6-4-9/h3-7H,1-2H3
InChIKeyGWDJJEMCQNXKQG-UHFFFAOYSA-N
XLogP3.65
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanamine
CID 106849619
4-methyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-thiazole-5-carbaldehyde
CID 115003475
N-methyl-1-[4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]ethanamine
CID 61281898
4-methyl-2-(2-methyl-3H-benzimidazol-5-yl)-1,3-thiazole-5-carbaldehyde
CID 116885674
4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde;[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
CID 157056906
4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carbaldehyde
CID 116885687
2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 131616366
4-(4-methylsulfanylphenyl)pyridine-2,6-dicarbaldehyde
CID 11557934
2-(2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 131566329
ethyl 5-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxylate
CID 116526123
5-bromo-4-methyl-2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazole
CID 116887917
N-methyl-1-[2-(4-methylsulfanylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 106849680

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-5-carbaldehyde (CID 116885669) is 4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-5-carbaldehyde is CSc1ccc(-c2nc(C)c(C=O)s2)cc1.
What is the InChIKey of 4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is GWDJJEMCQNXKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS2/c1-8-11(7-14)16-12(13-8)9-3-5-10(15-2)6-4-9/h3-7H,1-2H3.
What are the key properties of 4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-5-carbaldehyde?
4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 249.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 116885669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).