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

C13H13NOS — CID 3744709

IUPAC4-(2,4,5-trimethylphenyl)-1,3-thiazole-2-carbaldehyde
SMILESCc1cc(C)c(-c2csc(C=O)n2)cc1C
InChIInChI=1S/C13H13NOS/c1-8-4-10(3)11(5-9(8)2)12-7-16-13(6-15)14-12/h4-7H,1-3H3
InChIKeyDSYUCPZYAKJUSU-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.55
Rot. Bonds2

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

4-(2,4,5-trimethylphenyl)-1,3-thiazole-2-carbaldehyde (PubChem CID 3744709) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 4-(2,4,5-trimethylphenyl)-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name4-(2,4,5-trimethylphenyl)-1,3-thiazole-2-carbaldehyde
PubChem CID3744709
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name4-(2,4,5-trimethylphenyl)-1,3-thiazole-2-carbaldehyde
SMILESCc1cc(C)c(-c2csc(C=O)n2)cc1C
InChIInChI=1S/C13H13NOS/c1-8-4-10(3)11(5-9(8)2)12-7-16-13(6-15)14-12/h4-7H,1-3H3
InChIKeyDSYUCPZYAKJUSU-UHFFFAOYSA-N
XLogP3.55
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methyl-4-phenylmethoxyphenyl)-1,3-thiazole-2-carbaldehyde
CID 5236069
4-(3,4-dimethoxyphenyl)-1,3-thiazole-2-carbaldehyde
CID 3454152
4-(1-benzothiophen-3-yl)-1,3-thiazole-2-carbaldehyde
CID 116867326
4-(5-amino-1H-pyrazol-4-yl)-1,3-thiazole-2-carbaldehyde
CID 87898207
4-phenyl-1,3-thiazole-2-carbaldehyde
CID 3538814
4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazole
CID 82129098
4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole
CID 116891909
3,5-dimethyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 7924782
4-(6-methoxynaphthalen-2-yl)-1,3-thiazole-2-carbaldehyde
CID 116867332
2-methylsulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8871898
N-[(2S)-1-methoxypropan-2-yl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine
CID 2496794
4-(3,4-diethoxyphenyl)-1,3-thiazole-2-carbaldehyde
CID 3744151

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,5-trimethylphenyl)-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 4-(2,4,5-trimethylphenyl)-1,3-thiazole-2-carbaldehyde (CID 3744709) is 4-(2,4,5-trimethylphenyl)-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 4-(2,4,5-trimethylphenyl)-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 4-(2,4,5-trimethylphenyl)-1,3-thiazole-2-carbaldehyde is Cc1cc(C)c(-c2csc(C=O)n2)cc1C.
What is the InChIKey of 4-(2,4,5-trimethylphenyl)-1,3-thiazole-2-carbaldehyde?
The InChIKey is DSYUCPZYAKJUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-8-4-10(3)11(5-9(8)2)12-7-16-13(6-15)14-12/h4-7H,1-3H3.
What are the key properties of 4-(2,4,5-trimethylphenyl)-1,3-thiazole-2-carbaldehyde?
4-(2,4,5-trimethylphenyl)-1,3-thiazole-2-carbaldehyde has a molecular weight of 231.32 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,5-trimethylphenyl)-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 3744709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).