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

C14H15NOS — CID 116885687

IUPAC4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carbaldehyde
SMILESCc1ccc(-c2nc(C)c(C=O)s2)c(C)c1C
InChIInChI=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
InChIKeySYUGIERNROWCAJ-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.86
Rot. Bonds2

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 Name4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carbaldehyde
PubChem CID116885687
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carbaldehyde
SMILESCc1ccc(-c2nc(C)c(C=O)s2)c(C)c1C
InChIInChI=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
InChIKeySYUGIERNROWCAJ-UHFFFAOYSA-N
XLogP3.86
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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).