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

C₁₄H₁₅NOS — CID 116885687

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

4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carbaldehyde (PubChem CID 116885687) has the molecular formula C₁₄H₁₅NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

• Compound Name: 4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carbaldehyde
• PubChem CID: 116885687
• Molecular Formula: C₁₄H₁₅NOS
• Molecular Weight: 245.35 g/mol
• Exact Mass: 245.09
• IUPAC Name: 4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carbaldehyde
• SMILES: Cc1ccc(-c2nc(C)c(C=O)s2)c(C)c1C
• InChI: InChI=1S/C14H15NOS/c1-8-5-6-12(10(3)9(8)2)14-15-11(4)13(7-16)17-14/h5-7H,1-4H3
• InChIKey: SYUGIERNROWCAJ-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 29.96 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	245.35
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carbaldehyde?

The IUPAC name of 4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carbaldehyde (CID 116885687) is 4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carbaldehyde.

What is the SMILES notation for 4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carbaldehyde?

The canonical SMILES for 4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carbaldehyde is Cc1ccc(-c2nc(C)c(C=O)s2)c(C)c1C.

What is the InChIKey of 4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carbaldehyde?

The InChIKey is SYUGIERNROWCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-8-5-6-12(10(3)9(8)2)14-15-11(4)13(7-16)17-14/h5-7H,1-4H3.

What are the key properties of 4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carbaldehyde?

4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 245.35 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 116885687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 116885687 — identifiers, structure, computed properties (public domain)

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