5-fluoro-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline

C11H10FN3O2S — CID 55175807

IUPAC5-fluoro-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
SMILESO=[N+]([O-])c1ccc(F)cc1NCCc1nccs1
InChIInChI=1S/C11H10FN3O2S/c12-8-1-2-10(15(16)17)9(7-8)13-4-3-11-14-5-6-18-11/h1-2,5-7,13H,3-4H2
InChIKeyABJXCPCIVOVBJV-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.85
Rot. Bonds5

About 5-fluoro-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline

5-fluoro-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline (PubChem CID 55175807) has the molecular formula C11H10FN3O2S and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-fluoro-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
PubChem CID55175807
Molecular FormulaC11H10FN3O2S
Molecular Weight267.28 g/mol
Exact Mass267.05
IUPAC Name5-fluoro-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
SMILESO=[N+]([O-])c1ccc(F)cc1NCCc1nccs1
InChIInChI=1S/C11H10FN3O2S/c12-8-1-2-10(15(16)17)9(7-8)13-4-3-11-14-5-6-18-11/h1-2,5-7,13H,3-4H2
InChIKeyABJXCPCIVOVBJV-UHFFFAOYSA-N
XLogP2.85
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-fluoro-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline 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-fluoro-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline?
The IUPAC name of 5-fluoro-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline (CID 55175807) is 5-fluoro-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 5-fluoro-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline?
The canonical SMILES for 5-fluoro-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline is O=[N+]([O-])c1ccc(F)cc1NCCc1nccs1.
What is the InChIKey of 5-fluoro-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline?
The InChIKey is ABJXCPCIVOVBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2S/c12-8-1-2-10(15(16)17)9(7-8)13-4-3-11-14-5-6-18-11/h1-2,5-7,13H,3-4H2.
What are the key properties of 5-fluoro-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline?
5-fluoro-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline has a molecular weight of 267.28 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 55175807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).