1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone

C11H9FN2OS — CID 82684743

IUPAC1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESNc1ccc(F)cc1C(=O)Cc1nccs1
InChIInChI=1S/C11H9FN2OS/c12-7-1-2-9(13)8(5-7)10(15)6-11-14-3-4-16-11/h1-5H,6,13H2
InChIKeyIVRSNJYHSBLCRK-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.29
Rot. Bonds3

About 1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone

1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 82684743) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone
PubChem CID82684743
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC Name1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESNc1ccc(F)cc1C(=O)Cc1nccs1
InChIInChI=1S/C11H9FN2OS/c12-7-1-2-9(13)8(5-7)10(15)6-11-14-3-4-16-11/h1-5H,6,13H2
InChIKeyIVRSNJYHSBLCRK-UHFFFAOYSA-N
XLogP2.29
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone 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 1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone (CID 82684743) is 1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone is Nc1ccc(F)cc1C(=O)Cc1nccs1.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is IVRSNJYHSBLCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2OS/c12-7-1-2-9(13)8(5-7)10(15)6-11-14-3-4-16-11/h1-5H,6,13H2.
What are the key properties of 1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone?
1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 236.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 82684743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).