5-pyridin-4-yl-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde

C11H7N5OS — CID 82220879

IUPAC5-pyridin-4-yl-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde
SMILESO=Cc1nnn(-c2nccs2)c1-c1ccncc1
InChIInChI=1S/C11H7N5OS/c17-7-9-10(8-1-3-12-4-2-8)16(15-14-9)11-13-5-6-18-11/h1-7H
InChIKeyADASDPJCFKKFRP-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.60
Rot. Bonds3

About 5-pyridin-4-yl-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde

5-pyridin-4-yl-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde (PubChem CID 82220879) has the molecular formula C11H7N5OS and a molecular weight of 257.28 g/mol. Its IUPAC name is 5-pyridin-4-yl-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde.

Molecular Properties

Compound Name5-pyridin-4-yl-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde
PubChem CID82220879
Molecular FormulaC11H7N5OS
Molecular Weight257.28 g/mol
Exact Mass257.04
IUPAC Name5-pyridin-4-yl-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde
SMILESO=Cc1nnn(-c2nccs2)c1-c1ccncc1
InChIInChI=1S/C11H7N5OS/c17-7-9-10(8-1-3-12-4-2-8)16(15-14-9)11-13-5-6-18-11/h1-7H
InChIKeyADASDPJCFKKFRP-UHFFFAOYSA-N
XLogP1.60
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methylphenyl)-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde
CID 82220814
5-cyclopropyl-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde
CID 82220793
5-cyclobutyl-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde
CID 82220913
1-(3,5-dimethylphenyl)-5-pyridin-4-yltriazole-4-carbaldehyde
CID 82198767
5-(2-methylpropyl)-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde
CID 82220796
5-propyl-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde
CID 82220778
4-(4-formyl-5-pyridin-4-yltriazol-1-yl)benzoic acid
CID 82199993
5-(phenoxymethyl)-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde
CID 82220861
1-(3-methylphenyl)-5-pyridin-4-yltriazole-4-carbaldehyde
CID 82198019
1-(5-hydroxynaphthalen-1-yl)-5-pyridin-4-yltriazole-4-carbaldehyde
CID 94938119
5-(4-fluorophenyl)-1-(1,3-thiazol-2-yl)triazole-4-carboxylic acid
CID 82220746
5-(4-methylphenyl)-1-(1,3-thiazol-2-yl)triazole-4-carbonitrile
CID 82220819

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde?
The IUPAC name of 5-pyridin-4-yl-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde (CID 82220879) is 5-pyridin-4-yl-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde.
What is the SMILES notation for 5-pyridin-4-yl-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde?
The canonical SMILES for 5-pyridin-4-yl-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde is O=Cc1nnn(-c2nccs2)c1-c1ccncc1.
What is the InChIKey of 5-pyridin-4-yl-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde?
The InChIKey is ADASDPJCFKKFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5OS/c17-7-9-10(8-1-3-12-4-2-8)16(15-14-9)11-13-5-6-18-11/h1-7H.
What are the key properties of 5-pyridin-4-yl-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde?
5-pyridin-4-yl-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde has a molecular weight of 257.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde is sourced from PubChem (CID 82220879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).