3-(4-amino-2-anilino-1,3-thiazol-5-yl)pyridine-2-carbaldehyde

C15H12N4OS — CID 87217261

IUPAC3-(4-amino-2-anilino-1,3-thiazol-5-yl)pyridine-2-carbaldehyde
SMILESNc1nc(Nc2ccccc2)sc1-c1cccnc1C=O
InChIInChI=1S/C15H12N4OS/c16-14-13(11-7-4-8-17-12(11)9-20)21-15(19-14)18-10-5-2-1-3-6-10/h1-9H,16H2,(H,18,19)
InChIKeyZUMKSECFUMJUGL-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.34
Rot. Bonds4

About 3-(4-amino-2-anilino-1,3-thiazol-5-yl)pyridine-2-carbaldehyde

3-(4-amino-2-anilino-1,3-thiazol-5-yl)pyridine-2-carbaldehyde (PubChem CID 87217261) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 3-(4-amino-2-anilino-1,3-thiazol-5-yl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-(4-amino-2-anilino-1,3-thiazol-5-yl)pyridine-2-carbaldehyde
PubChem CID87217261
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name3-(4-amino-2-anilino-1,3-thiazol-5-yl)pyridine-2-carbaldehyde
SMILESNc1nc(Nc2ccccc2)sc1-c1cccnc1C=O
InChIInChI=1S/C15H12N4OS/c16-14-13(11-7-4-8-17-12(11)9-20)21-15(19-14)18-10-5-2-1-3-6-10/h1-9H,16H2,(H,18,19)
InChIKeyZUMKSECFUMJUGL-UHFFFAOYSA-N
XLogP3.34
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(4-amino-2-anilino-1,3-thiazol-5-yl)pyridine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-anilino-1,3-thiazol-5-yl)pyridine-2-carbaldehyde?
The IUPAC name of 3-(4-amino-2-anilino-1,3-thiazol-5-yl)pyridine-2-carbaldehyde (CID 87217261) is 3-(4-amino-2-anilino-1,3-thiazol-5-yl)pyridine-2-carbaldehyde.
What is the SMILES notation for 3-(4-amino-2-anilino-1,3-thiazol-5-yl)pyridine-2-carbaldehyde?
The canonical SMILES for 3-(4-amino-2-anilino-1,3-thiazol-5-yl)pyridine-2-carbaldehyde is Nc1nc(Nc2ccccc2)sc1-c1cccnc1C=O.
What is the InChIKey of 3-(4-amino-2-anilino-1,3-thiazol-5-yl)pyridine-2-carbaldehyde?
The InChIKey is ZUMKSECFUMJUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c16-14-13(11-7-4-8-17-12(11)9-20)21-15(19-14)18-10-5-2-1-3-6-10/h1-9H,16H2,(H,18,19).
What are the key properties of 3-(4-amino-2-anilino-1,3-thiazol-5-yl)pyridine-2-carbaldehyde?
3-(4-amino-2-anilino-1,3-thiazol-5-yl)pyridine-2-carbaldehyde has a molecular weight of 296.36 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-anilino-1,3-thiazol-5-yl)pyridine-2-carbaldehyde is sourced from PubChem (CID 87217261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).