2-fluoro-N-(thiatriazol-5-yl)pyridine-4-carboxamide

C7H4FN5OS — CID 114912096

IUPAC2-fluoro-N-(thiatriazol-5-yl)pyridine-4-carboxamide
SMILESO=C(Nc1nnns1)c1ccnc(F)c1
InChIInChI=1S/C7H4FN5OS/c8-5-3-4(1-2-9-5)6(14)10-7-11-12-13-15-7/h1-3H,(H,10,11,13,14)
InChIKeyGIRSWMYGAWNXDH-UHFFFAOYSA-N
MW225.21 g/mol
LogP0.72
Rot. Bonds2

About 2-fluoro-N-(thiatriazol-5-yl)pyridine-4-carboxamide

2-fluoro-N-(thiatriazol-5-yl)pyridine-4-carboxamide (PubChem CID 114912096) has the molecular formula C7H4FN5OS and a molecular weight of 225.21 g/mol. Its IUPAC name is 2-fluoro-N-(thiatriazol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(thiatriazol-5-yl)pyridine-4-carboxamide
PubChem CID114912096
Molecular FormulaC7H4FN5OS
Molecular Weight225.21 g/mol
Exact Mass225.01
IUPAC Name2-fluoro-N-(thiatriazol-5-yl)pyridine-4-carboxamide
SMILESO=C(Nc1nnns1)c1ccnc(F)c1
InChIInChI=1S/C7H4FN5OS/c8-5-3-4(1-2-9-5)6(14)10-7-11-12-13-15-7/h1-3H,(H,10,11,13,14)
InChIKeyGIRSWMYGAWNXDH-UHFFFAOYSA-N
XLogP0.72
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-fluoro-N-(thiatriazol-5-yl)pyridine-4-carboxamide 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

2-(aminomethyl)-N-(thiatriazol-5-yl)pyridine-4-carboxamide
CID 114912577
2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide
CID 115661242
4-bromo-N-(thiatriazol-5-yl)-3-(trifluoromethyl)benzamide
CID 114912769
3-chloro-4-iodo-N-(thiatriazol-5-yl)benzamide
CID 103222246
4-tert-butyl-N-(thiatriazol-5-yl)benzamide
CID 19114244
N-(3,4-difluorophenyl)-2-fluoropyridine-4-carboxamide
CID 61295443
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-fluoropyridine-4-carboxamide
CID 54958473
3-amino-4-ethoxy-N-(thiatriazol-5-yl)benzamide
CID 114911608
2-bromo-4-fluoro-N-(thiatriazol-5-yl)benzamide
CID 114912800
2-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 61294571
N-(2-carbamoylphenyl)-2-fluoropyridine-4-carboxamide
CID 60565205
3-chloro-4-nitro-N-(thiatriazol-5-yl)benzamide
CID 114912099

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(thiatriazol-5-yl)pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-(thiatriazol-5-yl)pyridine-4-carboxamide (CID 114912096) is 2-fluoro-N-(thiatriazol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-(thiatriazol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-(thiatriazol-5-yl)pyridine-4-carboxamide is O=C(Nc1nnns1)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-(thiatriazol-5-yl)pyridine-4-carboxamide?
The InChIKey is GIRSWMYGAWNXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN5OS/c8-5-3-4(1-2-9-5)6(14)10-7-11-12-13-15-7/h1-3H,(H,10,11,13,14).
What are the key properties of 2-fluoro-N-(thiatriazol-5-yl)pyridine-4-carboxamide?
2-fluoro-N-(thiatriazol-5-yl)pyridine-4-carboxamide has a molecular weight of 225.21 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(thiatriazol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114912096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).