2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide

C9H7FN4OS — CID 115661242

IUPAC2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide
SMILESCc1nsc(NC(=O)c2ccnc(F)c2)n1
InChIInChI=1S/C9H7FN4OS/c1-5-12-9(16-14-5)13-8(15)6-2-3-11-7(10)4-6/h2-4H,1H3,(H,12,13,14,15)
InChIKeyOHPAXDZAOMYPCD-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.63
Rot. Bonds2

About 2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide

2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide (PubChem CID 115661242) has the molecular formula C9H7FN4OS and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide
PubChem CID115661242
Molecular FormulaC9H7FN4OS
Molecular Weight238.25 g/mol
Exact Mass238.03
IUPAC Name2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide
SMILESCc1nsc(NC(=O)c2ccnc(F)c2)n1
InChIInChI=1S/C9H7FN4OS/c1-5-12-9(16-14-5)13-8(15)6-2-3-11-7(10)4-6/h2-4H,1H3,(H,12,13,14,15)
InChIKeyOHPAXDZAOMYPCD-UHFFFAOYSA-N
XLogP1.63
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-(3-methyl-1,2,4-thiadiazol-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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide (CID 115661242) is 2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide is Cc1nsc(NC(=O)c2ccnc(F)c2)n1.
What is the InChIKey of 2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide?
The InChIKey is OHPAXDZAOMYPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4OS/c1-5-12-9(16-14-5)13-8(15)6-2-3-11-7(10)4-6/h2-4H,1H3,(H,12,13,14,15).
What are the key properties of 2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide?
2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 115661242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).