5-fluoro-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile

C13H9FN6S — CID 103335500

IUPAC5-fluoro-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile
SMILESN#Cc1cc(F)ccc1Nc1nc(NN)nc2sccc12
InChIInChI=1S/C13H9FN6S/c14-8-1-2-10(7(5-8)6-15)17-11-9-3-4-21-12(9)19-13(18-11)20-16/h1-5H,16H2,(H2,17,18,19,20)
InChIKeyWGIDPEJXWQCFRT-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.73
Rot. Bonds3

About 5-fluoro-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile

5-fluoro-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile (PubChem CID 103335500) has the molecular formula C13H9FN6S and a molecular weight of 300.32 g/mol. Its IUPAC name is 5-fluoro-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile
PubChem CID103335500
Molecular FormulaC13H9FN6S
Molecular Weight300.32 g/mol
Exact Mass300.06
IUPAC Name5-fluoro-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile
SMILESN#Cc1cc(F)ccc1Nc1nc(NN)nc2sccc12
InChIInChI=1S/C13H9FN6S/c14-8-1-2-10(7(5-8)6-15)17-11-9-3-4-21-12(9)19-13(18-11)20-16/h1-5H,16H2,(H2,17,18,19,20)
InChIKeyWGIDPEJXWQCFRT-UHFFFAOYSA-N
XLogP2.73
TPSA99.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(2-bromo-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323312
2-hydrazinyl-N-(2-iodophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103334778
4-N-(2-chloro-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323136
N-(2-bromo-5-methylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335513
N-(4-bromo-2-ethylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335460
4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-3-fluorobenzonitrile
CID 103329290
2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-5-fluorobenzonitrile
CID 82684894
4-N-(2-chloro-5-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 107531811
2-hydrazinyl-N-(2-methoxy-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103334767
2-hydrazinyl-N-thiophen-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 103334460
2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-4-bromobenzonitrile
CID 107801722
2-chloro-N-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320393

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile?
The IUPAC name of 5-fluoro-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile (CID 103335500) is 5-fluoro-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile.
What is the SMILES notation for 5-fluoro-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile?
The canonical SMILES for 5-fluoro-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile is N#Cc1cc(F)ccc1Nc1nc(NN)nc2sccc12.
What is the InChIKey of 5-fluoro-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile?
The InChIKey is WGIDPEJXWQCFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN6S/c14-8-1-2-10(7(5-8)6-15)17-11-9-3-4-21-12(9)19-13(18-11)20-16/h1-5H,16H2,(H2,17,18,19,20).
What are the key properties of 5-fluoro-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile?
5-fluoro-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile has a molecular weight of 300.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile is sourced from PubChem (CID 103335500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).