3-fluoro-4-(thieno[3,2-b]pyridin-7-ylmethyl)aniline

C14H11FN2S — CID 175376241

IUPAC3-fluoro-4-(thieno[3,2-b]pyridin-7-ylmethyl)aniline
SMILESNc1ccc(Cc2ccnc3ccsc23)c(F)c1
InChIInChI=1S/C14H11FN2S/c15-12-8-11(16)2-1-9(12)7-10-3-5-17-13-4-6-18-14(10)13/h1-6,8H,7,16H2
InChIKeyYEMGXQPMBRITGN-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.61
Rot. Bonds2

About 3-fluoro-4-(thieno[3,2-b]pyridin-7-ylmethyl)aniline

3-fluoro-4-(thieno[3,2-b]pyridin-7-ylmethyl)aniline (PubChem CID 175376241) has the molecular formula C14H11FN2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-fluoro-4-(thieno[3,2-b]pyridin-7-ylmethyl)aniline.

Molecular Properties

Compound Name3-fluoro-4-(thieno[3,2-b]pyridin-7-ylmethyl)aniline
PubChem CID175376241
Molecular FormulaC14H11FN2S
Molecular Weight258.32 g/mol
Exact Mass258.06
IUPAC Name3-fluoro-4-(thieno[3,2-b]pyridin-7-ylmethyl)aniline
SMILESNc1ccc(Cc2ccnc3ccsc23)c(F)c1
InChIInChI=1S/C14H11FN2S/c15-12-8-11(16)2-1-9(12)7-10-3-5-17-13-4-6-18-14(10)13/h1-6,8H,7,16H2
InChIKeyYEMGXQPMBRITGN-UHFFFAOYSA-N
XLogP3.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-fluoro-4-(thieno[3,2-b]pyridin-7-ylmethyl)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 3-fluoro-4-(thieno[3,2-b]pyridin-7-ylmethyl)aniline?
The IUPAC name of 3-fluoro-4-(thieno[3,2-b]pyridin-7-ylmethyl)aniline (CID 175376241) is 3-fluoro-4-(thieno[3,2-b]pyridin-7-ylmethyl)aniline.
What is the SMILES notation for 3-fluoro-4-(thieno[3,2-b]pyridin-7-ylmethyl)aniline?
The canonical SMILES for 3-fluoro-4-(thieno[3,2-b]pyridin-7-ylmethyl)aniline is Nc1ccc(Cc2ccnc3ccsc23)c(F)c1.
What is the InChIKey of 3-fluoro-4-(thieno[3,2-b]pyridin-7-ylmethyl)aniline?
The InChIKey is YEMGXQPMBRITGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2S/c15-12-8-11(16)2-1-9(12)7-10-3-5-17-13-4-6-18-14(10)13/h1-6,8H,7,16H2.
What are the key properties of 3-fluoro-4-(thieno[3,2-b]pyridin-7-ylmethyl)aniline?
3-fluoro-4-(thieno[3,2-b]pyridin-7-ylmethyl)aniline has a molecular weight of 258.32 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(thieno[3,2-b]pyridin-7-ylmethyl)aniline is sourced from PubChem (CID 175376241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).