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

C15H9F2N3OS — CID 741034

IUPAC4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccc(F)cc2)s1)c1ccc(F)cc1
InChIInChI=1S/C15H9F2N3OS/c16-11-5-1-9(2-6-11)13(21)18-15-20-19-14(22-15)10-3-7-12(17)8-4-10/h1-8H,(H,18,20,21)
InChIKeyHUUAZTSKKVMCTH-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.74
Rot. Bonds3

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

4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 741034) has the molecular formula C15H9F2N3OS and a molecular weight of 317.32 g/mol. Its IUPAC name is 4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID741034
Molecular FormulaC15H9F2N3OS
Molecular Weight317.32 g/mol
Exact Mass317.04
IUPAC Name4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccc(F)cc2)s1)c1ccc(F)cc1
InChIInChI=1S/C15H9F2N3OS/c16-11-5-1-9(2-6-11)13(21)18-15-20-19-14(22-15)10-3-7-12(17)8-4-10/h1-8H,(H,18,20,21)
InChIKeyHUUAZTSKKVMCTH-UHFFFAOYSA-N
XLogP3.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[4-(4-bromophenoxy)phenyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
CID 155943154
N-[5-[4-(4-fluorophenoxy)phenyl]-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 139582491
4-fluoro-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3656618
4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 4639958
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 82176843
4-bromo-N-[5-[4-(4-bromophenoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 155943213
3,4-difluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991331
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 741030
3,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 16813790
4-tert-butyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1042304
4-fluoro-N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 4245395
4-fluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086860

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 741034) is 4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is HUUAZTSKKVMCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N3OS/c16-11-5-1-9(2-6-11)13(21)18-15-20-19-14(22-15)10-3-7-12(17)8-4-10/h1-8H,(H,18,20,21).
What are the key properties of 4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 317.32 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 741034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).