1-(4-methyl-1,3-thiazol-2-yl)-5-[(E)-2-phenylethenyl]triazole-4-carbaldehyde

C15H12N4OS — CID 82221125

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-5-[(E)-2-phenylethenyl]triazole-4-carbaldehyde
SMILESCc1csc(-n2nnc(C=O)c2/C=C/c2ccccc2)n1
InChIInChI=1S/C15H12N4OS/c1-11-10-21-15(16-11)19-14(13(9-20)17-18-19)8-7-12-5-3-2-4-6-12/h2-10H,1H3/b8-7+
InChIKeyLVNYFNTZYVQILO-BQYQJAHWSA-N
MW296.36 g/mol
LogP3.02
Rot. Bonds4

About 1-(4-methyl-1,3-thiazol-2-yl)-5-[(E)-2-phenylethenyl]triazole-4-carbaldehyde

1-(4-methyl-1,3-thiazol-2-yl)-5-[(E)-2-phenylethenyl]triazole-4-carbaldehyde (PubChem CID 82221125) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-5-[(E)-2-phenylethenyl]triazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-5-[(E)-2-phenylethenyl]triazole-4-carbaldehyde
PubChem CID82221125
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-5-[(E)-2-phenylethenyl]triazole-4-carbaldehyde
SMILESCc1csc(-n2nnc(C=O)c2/C=C/c2ccccc2)n1
InChIInChI=1S/C15H12N4OS/c1-11-10-21-15(16-11)19-14(13(9-20)17-18-19)8-7-12-5-3-2-4-6-12/h2-10H,1H3/b8-7+
InChIKeyLVNYFNTZYVQILO-BQYQJAHWSA-N
XLogP3.02
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbaldehyde
CID 82198036
5-(3,4-dimethylphenyl)-1-(4-methyl-1,3-thiazol-2-yl)triazole-4-carbaldehyde
CID 82221086
[5-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol
CID 94962651
1-(4-methyl-1,3-thiazol-2-yl)-5-pentan-3-yltriazole-4-carbaldehyde
CID 82221035
1-(3-fluorophenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazole-4-carbaldehyde
CID 94937649
1-[1-(4-methyl-1,3-thiazol-2-yl)-5-phenyltriazol-4-yl]ethanone
CID 82221169
1-(4-phenyl-1,3-thiazol-2-yl)-5-propyltriazole-4-carbaldehyde
CID 82221203
[1-(4-methyl-1,3-thiazol-2-yl)-5-(2-phenylethyl)triazol-4-yl]methanamine
CID 82221157
5-[(4-fluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)triazole-4-carboxylic acid
CID 94962616
5-ethyl-1-(4-methyl-1,3-thiazol-2-yl)triazole-4-carbonitrile
CID 82221019
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylprop-2-en-1-amine
CID 76940192
5-(2-methylphenyl)-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde
CID 82220814

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-5-[(E)-2-phenylethenyl]triazole-4-carbaldehyde?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-5-[(E)-2-phenylethenyl]triazole-4-carbaldehyde (CID 82221125) is 1-(4-methyl-1,3-thiazol-2-yl)-5-[(E)-2-phenylethenyl]triazole-4-carbaldehyde.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-5-[(E)-2-phenylethenyl]triazole-4-carbaldehyde?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-5-[(E)-2-phenylethenyl]triazole-4-carbaldehyde is Cc1csc(-n2nnc(C=O)c2/C=C/c2ccccc2)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-5-[(E)-2-phenylethenyl]triazole-4-carbaldehyde?
The InChIKey is LVNYFNTZYVQILO-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H12N4OS/c1-11-10-21-15(16-11)19-14(13(9-20)17-18-19)8-7-12-5-3-2-4-6-12/h2-10H,1H3/b8-7+.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-5-[(E)-2-phenylethenyl]triazole-4-carbaldehyde?
1-(4-methyl-1,3-thiazol-2-yl)-5-[(E)-2-phenylethenyl]triazole-4-carbaldehyde has a molecular weight of 296.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-5-[(E)-2-phenylethenyl]triazole-4-carbaldehyde is sourced from PubChem (CID 82221125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).