3-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide

C15H9BrFN3OS — CID 4168046

IUPAC3-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccc(F)cc2)s1)c1cccc(Br)c1
InChIInChI=1S/C15H9BrFN3OS/c16-11-3-1-2-10(8-11)13(21)18-15-20-19-14(22-15)9-4-6-12(17)7-5-9/h1-8H,(H,18,20,21)
InChIKeyGYJMCDLCXHZPKL-UHFFFAOYSA-N
MW378.23 g/mol
LogP4.36
Rot. Bonds3

About 3-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide

3-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 4168046) has the molecular formula C15H9BrFN3OS and a molecular weight of 378.23 g/mol. Its IUPAC name is 3-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID4168046
Molecular FormulaC15H9BrFN3OS
Molecular Weight378.23 g/mol
Exact Mass376.96
IUPAC Name3-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccc(F)cc2)s1)c1cccc(Br)c1
InChIInChI=1S/C15H9BrFN3OS/c16-11-3-1-2-10(8-11)13(21)18-15-20-19-14(22-15)9-4-6-12(17)7-5-9/h1-8H,(H,18,20,21)
InChIKeyGYJMCDLCXHZPKL-UHFFFAOYSA-N
XLogP4.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 3-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 4168046) is 3-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 3-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 3-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is GYJMCDLCXHZPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrFN3OS/c16-11-3-1-2-10(8-11)13(21)18-15-20-19-14(22-15)9-4-6-12(17)7-5-9/h1-8H,(H,18,20,21).
What are the key properties of 3-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
3-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 378.23 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 4168046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).