2-(5-fluorothiophen-2-yl)-5-(1,2-thiazol-5-yl)aniline

C13H9FN2S2 — CID 155271441

IUPAC2-(5-fluorothiophen-2-yl)-5-(1,2-thiazol-5-yl)aniline
SMILESNc1cc(-c2ccns2)ccc1-c1ccc(F)s1
InChIInChI=1S/C13H9FN2S2/c14-13-4-3-12(17-13)9-2-1-8(7-10(9)15)11-5-6-16-18-11/h1-7H,15H2
InChIKeyKPPJOZQZDFWAJF-UHFFFAOYSA-N
MW276.36 g/mol
LogP4.26
Rot. Bonds2

About 2-(5-fluorothiophen-2-yl)-5-(1,2-thiazol-5-yl)aniline

2-(5-fluorothiophen-2-yl)-5-(1,2-thiazol-5-yl)aniline (PubChem CID 155271441) has the molecular formula C13H9FN2S2 and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(5-fluorothiophen-2-yl)-5-(1,2-thiazol-5-yl)aniline.

Molecular Properties

Compound Name2-(5-fluorothiophen-2-yl)-5-(1,2-thiazol-5-yl)aniline
PubChem CID155271441
Molecular FormulaC13H9FN2S2
Molecular Weight276.36 g/mol
Exact Mass276.02
IUPAC Name2-(5-fluorothiophen-2-yl)-5-(1,2-thiazol-5-yl)aniline
SMILESNc1cc(-c2ccns2)ccc1-c1ccc(F)s1
InChIInChI=1S/C13H9FN2S2/c14-13-4-3-12(17-13)9-2-1-8(7-10(9)15)11-5-6-16-18-11/h1-7H,15H2
InChIKeyKPPJOZQZDFWAJF-UHFFFAOYSA-N
XLogP4.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(5-fluorothiophen-2-yl)-5-(1,2-thiazol-5-yl)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 2-(5-fluorothiophen-2-yl)-5-(1,2-thiazol-5-yl)aniline?
The IUPAC name of 2-(5-fluorothiophen-2-yl)-5-(1,2-thiazol-5-yl)aniline (CID 155271441) is 2-(5-fluorothiophen-2-yl)-5-(1,2-thiazol-5-yl)aniline.
What is the SMILES notation for 2-(5-fluorothiophen-2-yl)-5-(1,2-thiazol-5-yl)aniline?
The canonical SMILES for 2-(5-fluorothiophen-2-yl)-5-(1,2-thiazol-5-yl)aniline is Nc1cc(-c2ccns2)ccc1-c1ccc(F)s1.
What is the InChIKey of 2-(5-fluorothiophen-2-yl)-5-(1,2-thiazol-5-yl)aniline?
The InChIKey is KPPJOZQZDFWAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2S2/c14-13-4-3-12(17-13)9-2-1-8(7-10(9)15)11-5-6-16-18-11/h1-7H,15H2.
What are the key properties of 2-(5-fluorothiophen-2-yl)-5-(1,2-thiazol-5-yl)aniline?
2-(5-fluorothiophen-2-yl)-5-(1,2-thiazol-5-yl)aniline has a molecular weight of 276.36 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluorothiophen-2-yl)-5-(1,2-thiazol-5-yl)aniline is sourced from PubChem (CID 155271441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).