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

C14H9FN4OS — CID 743989

IUPAC4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccncc2)s1)c1ccc(F)cc1
InChIInChI=1S/C14H9FN4OS/c15-11-3-1-9(2-4-11)12(20)17-14-19-18-13(21-14)10-5-7-16-8-6-10/h1-8H,(H,17,19,20)
InChIKeyPAQNJCGMJZUXLG-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.99
Rot. Bonds3

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

4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 743989) has the molecular formula C14H9FN4OS and a molecular weight of 300.32 g/mol. Its IUPAC name is 4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID743989
Molecular FormulaC14H9FN4OS
Molecular Weight300.32 g/mol
Exact Mass300.05
IUPAC Name4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccncc2)s1)c1ccc(F)cc1
InChIInChI=1S/C14H9FN4OS/c15-11-3-1-9(2-4-11)12(20)17-14-19-18-13(21-14)10-5-7-16-8-6-10/h1-8H,(H,17,19,20)
InChIKeyPAQNJCGMJZUXLG-UHFFFAOYSA-N
XLogP2.99
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 743989) is 4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nnc(-c2ccncc2)s1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is PAQNJCGMJZUXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4OS/c15-11-3-1-9(2-4-11)12(20)17-14-19-18-13(21-14)10-5-7-16-8-6-10/h1-8H,(H,17,19,20).
What are the key properties of 4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide?
4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 300.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 743989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).