3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide

C14H8F2N4O2S2 — CID 135357344

IUPAC3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide
SMILESO=C(NO)c1cc(F)c(Sc2nnc(-c3cccnc3)s2)c(F)c1
InChIInChI=1S/C14H8F2N4O2S2/c15-9-4-8(12(21)20-22)5-10(16)11(9)23-14-19-18-13(24-14)7-2-1-3-17-6-7/h1-6,22H,(H,20,21)
InChIKeySHGLXOZBGFEIPH-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.15
Rot. Bonds4

About 3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide

3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide (PubChem CID 135357344) has the molecular formula C14H8F2N4O2S2 and a molecular weight of 366.37 g/mol. Its IUPAC name is 3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide
PubChem CID135357344
Molecular FormulaC14H8F2N4O2S2
Molecular Weight366.37 g/mol
Exact Mass366.01
IUPAC Name3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide
SMILESO=C(NO)c1cc(F)c(Sc2nnc(-c3cccnc3)s2)c(F)c1
InChIInChI=1S/C14H8F2N4O2S2/c15-9-4-8(12(21)20-22)5-10(16)11(9)23-14-19-18-13(24-14)7-2-1-3-17-6-7/h1-6,22H,(H,20,21)
InChIKeySHGLXOZBGFEIPH-UHFFFAOYSA-N
XLogP3.15
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide?
The IUPAC name of 3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide (CID 135357344) is 3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide is O=C(NO)c1cc(F)c(Sc2nnc(-c3cccnc3)s2)c(F)c1.
What is the InChIKey of 3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide?
The InChIKey is SHGLXOZBGFEIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N4O2S2/c15-9-4-8(12(21)20-22)5-10(16)11(9)23-14-19-18-13(24-14)7-2-1-3-17-6-7/h1-6,22H,(H,20,21).
What are the key properties of 3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide?
3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide has a molecular weight of 366.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide is sourced from PubChem (CID 135357344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).