6-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide

C13H8FN5OS — CID 68623145

IUPAC6-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(-c2nnc(-c3cncc(F)c3)s2)n1
InChIInChI=1S/C13H8FN5OS/c14-8-4-7(5-16-6-8)12-18-19-13(21-12)10-3-1-2-9(17-10)11(15)20/h1-6H,(H2,15,20)
InChIKeyQSCJVTHFJGHFFW-UHFFFAOYSA-N
MW301.31 g/mol
LogP1.90
Rot. Bonds3

About 6-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide

6-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide (PubChem CID 68623145) has the molecular formula C13H8FN5OS and a molecular weight of 301.31 g/mol. Its IUPAC name is 6-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
PubChem CID68623145
Molecular FormulaC13H8FN5OS
Molecular Weight301.31 g/mol
Exact Mass301.04
IUPAC Name6-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(-c2nnc(-c3cncc(F)c3)s2)n1
InChIInChI=1S/C13H8FN5OS/c14-8-4-7(5-16-6-8)12-18-19-13(21-12)10-3-1-2-9(17-10)11(15)20/h1-6H,(H2,15,20)
InChIKeyQSCJVTHFJGHFFW-UHFFFAOYSA-N
XLogP1.90
TPSA94.65 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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide (CID 68623145) is 6-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide is NC(=O)c1cccc(-c2nnc(-c3cncc(F)c3)s2)n1.
What is the InChIKey of 6-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is QSCJVTHFJGHFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN5OS/c14-8-4-7(5-16-6-8)12-18-19-13(21-12)10-3-1-2-9(17-10)11(15)20/h1-6H,(H2,15,20).
What are the key properties of 6-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide?
6-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 301.31 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 68623145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).