4-(4-aminophenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid

C15H11N3O2S — CID 82227073

IUPAC4-(4-aminophenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
SMILESNc1ccc(-c2nc(-c3ccccn3)sc2C(=O)O)cc1
InChIInChI=1S/C15H11N3O2S/c16-10-6-4-9(5-7-10)12-13(15(19)20)21-14(18-12)11-3-1-2-8-17-11/h1-8H,16H2,(H,19,20)
InChIKeyUMSJUYQIGHXVHT-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.15
Rot. Bonds3

About 4-(4-aminophenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid

4-(4-aminophenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 82227073) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 4-(4-aminophenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-aminophenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
PubChem CID82227073
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC Name4-(4-aminophenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
SMILESNc1ccc(-c2nc(-c3ccccn3)sc2C(=O)O)cc1
InChIInChI=1S/C15H11N3O2S/c16-10-6-4-9(5-7-10)12-13(15(19)20)21-14(18-12)11-3-1-2-8-17-11/h1-8H,16H2,(H,19,20)
InChIKeyUMSJUYQIGHXVHT-UHFFFAOYSA-N
XLogP3.15
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(4-aminophenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid (CID 82227073) is 4-(4-aminophenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(4-aminophenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(4-aminophenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid is Nc1ccc(-c2nc(-c3ccccn3)sc2C(=O)O)cc1.
What is the InChIKey of 4-(4-aminophenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is UMSJUYQIGHXVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c16-10-6-4-9(5-7-10)12-13(15(19)20)21-14(18-12)11-3-1-2-8-17-11/h1-8H,16H2,(H,19,20).
What are the key properties of 4-(4-aminophenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid?
4-(4-aminophenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 297.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82227073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).