5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carbaldehyde

C10H6F2N2OS — CID 88894880

IUPAC5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carbaldehyde
SMILESNc1sc(-c2c(F)cccc2F)nc1C=O
InChIInChI=1S/C10H6F2N2OS/c11-5-2-1-3-6(12)8(5)10-14-7(4-15)9(13)16-10/h1-4H,13H2
InChIKeyRYKFAIFRPYWUHI-UHFFFAOYSA-N
MW240.23 g/mol
LogP2.48
Rot. Bonds2

About 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carbaldehyde

5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 88894880) has the molecular formula C10H6F2N2OS and a molecular weight of 240.23 g/mol. Its IUPAC name is 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carbaldehyde
PubChem CID88894880
Molecular FormulaC10H6F2N2OS
Molecular Weight240.23 g/mol
Exact Mass240.02
IUPAC Name5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carbaldehyde
SMILESNc1sc(-c2c(F)cccc2F)nc1C=O
InChIInChI=1S/C10H6F2N2OS/c11-5-2-1-3-6(12)8(5)10-14-7(4-15)9(13)16-10/h1-4H,13H2
InChIKeyRYKFAIFRPYWUHI-UHFFFAOYSA-N
XLogP2.48
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-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 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carbaldehyde (CID 88894880) is 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carbaldehyde is Nc1sc(-c2c(F)cccc2F)nc1C=O.
What is the InChIKey of 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is RYKFAIFRPYWUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2OS/c11-5-2-1-3-6(12)8(5)10-14-7(4-15)9(13)16-10/h1-4H,13H2.
What are the key properties of 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carbaldehyde?
5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 240.23 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 88894880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).