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

C13H8FN5OS — CID 75503355

IUPAC5-fluoro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccncc2)ns1)c1cncc(F)c1
InChIInChI=1S/C13H8FN5OS/c14-10-5-9(6-16-7-10)12(20)18-13-17-11(19-21-13)8-1-3-15-4-2-8/h1-7H,(H,17,18,19,20)
InChIKeyGJZLWOXNJZZONK-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.39
Rot. Bonds3

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

5-fluoro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide (PubChem CID 75503355) has the molecular formula C13H8FN5OS and a molecular weight of 301.31 g/mol. Its IUPAC name is 5-fluoro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
PubChem CID75503355
Molecular FormulaC13H8FN5OS
Molecular Weight301.31 g/mol
Exact Mass301.04
IUPAC Name5-fluoro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccncc2)ns1)c1cncc(F)c1
InChIInChI=1S/C13H8FN5OS/c14-10-5-9(6-16-7-10)12(20)18-13-17-11(19-21-13)8-1-3-15-4-2-8/h1-7H,(H,17,18,19,20)
InChIKeyGJZLWOXNJZZONK-UHFFFAOYSA-N
XLogP2.39
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide (CID 75503355) is 5-fluoro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide is O=C(Nc1nc(-c2ccncc2)ns1)c1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide?
The InChIKey is GJZLWOXNJZZONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN5OS/c14-10-5-9(6-16-7-10)12(20)18-13-17-11(19-21-13)8-1-3-15-4-2-8/h1-7H,(H,17,18,19,20).
What are the key properties of 5-fluoro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide?
5-fluoro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide has a molecular weight of 301.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 75503355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).