1-(2-methoxyphenyl)-5-thiophen-2-yltriazole-4-carbaldehyde

C14H11N3O2S — CID 82199012

IUPAC1-(2-methoxyphenyl)-5-thiophen-2-yltriazole-4-carbaldehyde
SMILESCOc1ccccc1-n1nnc(C=O)c1-c1cccs1
InChIInChI=1S/C14H11N3O2S/c1-19-12-6-3-2-5-11(12)17-14(10(9-18)15-16-17)13-7-4-8-20-13/h2-9H,1H3
InChIKeyKLFOQAVTIOHFKK-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.82
Rot. Bonds4

About 1-(2-methoxyphenyl)-5-thiophen-2-yltriazole-4-carbaldehyde

1-(2-methoxyphenyl)-5-thiophen-2-yltriazole-4-carbaldehyde (PubChem CID 82199012) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5-thiophen-2-yltriazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5-thiophen-2-yltriazole-4-carbaldehyde
PubChem CID82199012
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name1-(2-methoxyphenyl)-5-thiophen-2-yltriazole-4-carbaldehyde
SMILESCOc1ccccc1-n1nnc(C=O)c1-c1cccs1
InChIInChI=1S/C14H11N3O2S/c1-19-12-6-3-2-5-11(12)17-14(10(9-18)15-16-17)13-7-4-8-20-13/h2-9H,1H3
InChIKeyKLFOQAVTIOHFKK-UHFFFAOYSA-N
XLogP2.82
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.82
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-(2-ethoxyphenyl)-5-thiophen-2-yltriazole-4-carbaldehyde
CID 82197467
1-(1-phenylethyl)-5-thiophen-2-yltriazole-4-carbaldehyde
CID 82206205
[1-(2,4-dimethoxyphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
CID 94938175
1-(2,5-dimethoxyphenyl)-5-pyridin-4-yltriazole-4-carbaldehyde
CID 94938608
[1-(2-methoxy-5-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanamine
CID 82200714
1-(2-methoxyphenyl)-5-phenyltriazole-4-carboxylic acid
CID 56768648
1-(2-methylprop-2-enyl)-5-thiophen-2-yltriazole-4-carbaldehyde
CID 82210670
1-(4-fluorophenyl)-5-(2-methoxyphenyl)triazole-4-carbaldehyde
CID 82196784
1-(5-chloro-2-methoxyphenyl)-5-thiophen-2-yltriazole-4-carbonitrile
CID 94938759
3-(2-methoxyphenyl)furo[3,4-d]triazole-4,6-dione
CID 82369551
1-(2-methoxyphenyl)-5-pyridin-4-yltriazole-4-carboxylic acid
CID 45030984
1-(2-methoxyphenyl)benzotriazole
CID 53415460

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-5-thiophen-2-yltriazole-4-carbaldehyde?
The IUPAC name of 1-(2-methoxyphenyl)-5-thiophen-2-yltriazole-4-carbaldehyde (CID 82199012) is 1-(2-methoxyphenyl)-5-thiophen-2-yltriazole-4-carbaldehyde.
What is the SMILES notation for 1-(2-methoxyphenyl)-5-thiophen-2-yltriazole-4-carbaldehyde?
The canonical SMILES for 1-(2-methoxyphenyl)-5-thiophen-2-yltriazole-4-carbaldehyde is COc1ccccc1-n1nnc(C=O)c1-c1cccs1.
What is the InChIKey of 1-(2-methoxyphenyl)-5-thiophen-2-yltriazole-4-carbaldehyde?
The InChIKey is KLFOQAVTIOHFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-19-12-6-3-2-5-11(12)17-14(10(9-18)15-16-17)13-7-4-8-20-13/h2-9H,1H3.
What are the key properties of 1-(2-methoxyphenyl)-5-thiophen-2-yltriazole-4-carbaldehyde?
1-(2-methoxyphenyl)-5-thiophen-2-yltriazole-4-carbaldehyde has a molecular weight of 285.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5-thiophen-2-yltriazole-4-carbaldehyde is sourced from PubChem (CID 82199012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).