2-[4-(2,3,4-trimethylphenyl)-1,3-thiazol-2-yl]acetaldehyde

C14H15NOS — CID 116968887

IUPAC2-[4-(2,3,4-trimethylphenyl)-1,3-thiazol-2-yl]acetaldehyde
SMILESCc1ccc(-c2csc(CC=O)n2)c(C)c1C
InChIInChI=1S/C14H15NOS/c1-9-4-5-12(11(3)10(9)2)13-8-17-14(15-13)6-7-16/h4-5,7-8H,6H2,1-3H3
InChIKeyGFUZECXEBQNZLH-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.48
Rot. Bonds3

About 2-[4-(2,3,4-trimethylphenyl)-1,3-thiazol-2-yl]acetaldehyde

2-[4-(2,3,4-trimethylphenyl)-1,3-thiazol-2-yl]acetaldehyde (PubChem CID 116968887) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-[4-(2,3,4-trimethylphenyl)-1,3-thiazol-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-(2,3,4-trimethylphenyl)-1,3-thiazol-2-yl]acetaldehyde
PubChem CID116968887
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name2-[4-(2,3,4-trimethylphenyl)-1,3-thiazol-2-yl]acetaldehyde
SMILESCc1ccc(-c2csc(CC=O)n2)c(C)c1C
InChIInChI=1S/C14H15NOS/c1-9-4-5-12(11(3)10(9)2)13-8-17-14(15-13)6-7-16/h4-5,7-8H,6H2,1-3H3
InChIKeyGFUZECXEBQNZLH-UHFFFAOYSA-N
XLogP3.48
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.48
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

2-(2-chloroethyl)-4-(2,3,4-trimethylphenyl)-1,3-thiazole
CID 116965567
3-[4-(2,3,4-trimethylphenyl)-1,3-thiazol-2-yl]propanenitrile
CID 116866839
2-[4-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]acetaldehyde
CID 116968883
2-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde
CID 116968816
2-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde
CID 116968837
2-[4-(2-methyl-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetaldehyde
CID 116968865
2-ethyl-4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazole
CID 116970066
1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
CID 116964953
[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970211
2-[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]acetonitrile
CID 82300637
4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965147
2,4,6-tris(2,3,4-trimethylphenyl)pyrimidine
CID 58604236

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3,4-trimethylphenyl)-1,3-thiazol-2-yl]acetaldehyde?
The IUPAC name of 2-[4-(2,3,4-trimethylphenyl)-1,3-thiazol-2-yl]acetaldehyde (CID 116968887) is 2-[4-(2,3,4-trimethylphenyl)-1,3-thiazol-2-yl]acetaldehyde.
What is the SMILES notation for 2-[4-(2,3,4-trimethylphenyl)-1,3-thiazol-2-yl]acetaldehyde?
The canonical SMILES for 2-[4-(2,3,4-trimethylphenyl)-1,3-thiazol-2-yl]acetaldehyde is Cc1ccc(-c2csc(CC=O)n2)c(C)c1C.
What is the InChIKey of 2-[4-(2,3,4-trimethylphenyl)-1,3-thiazol-2-yl]acetaldehyde?
The InChIKey is GFUZECXEBQNZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-9-4-5-12(11(3)10(9)2)13-8-17-14(15-13)6-7-16/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 2-[4-(2,3,4-trimethylphenyl)-1,3-thiazol-2-yl]acetaldehyde?
2-[4-(2,3,4-trimethylphenyl)-1,3-thiazol-2-yl]acetaldehyde has a molecular weight of 245.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3,4-trimethylphenyl)-1,3-thiazol-2-yl]acetaldehyde is sourced from PubChem (CID 116968887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).