N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide

C16H12FN3OS — CID 741030

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
SMILESO=C(Nc1nnc(Cc2ccccc2)s1)c1ccc(F)cc1
InChIInChI=1S/C16H12FN3OS/c17-13-8-6-12(7-9-13)15(21)18-16-20-19-14(22-16)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,20,21)
InChIKeyCNRHJAIHQPJJRY-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.52
Rot. Bonds4

About N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide (PubChem CID 741030) has the molecular formula C16H12FN3OS and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
PubChem CID741030
Molecular FormulaC16H12FN3OS
Molecular Weight313.36 g/mol
Exact Mass313.07
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
SMILESO=C(Nc1nnc(Cc2ccccc2)s1)c1ccc(F)cc1
InChIInChI=1S/C16H12FN3OS/c17-13-8-6-12(7-9-13)15(21)18-16-20-19-14(22-16)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,20,21)
InChIKeyCNRHJAIHQPJJRY-UHFFFAOYSA-N
XLogP3.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]carbamic acid
CID 68739824
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)benzamide
CID 18189580
N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
CID 11291008
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 16547310
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-fluorobenzamide
CID 18075087
4-fluoro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17319861
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dichlorobenzamide
CID 30581878
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-cyclohexylbenzamide
CID 68739431
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenoxy)acetamide
CID 7729168
(E)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 7943906
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-chloro-3-iodobenzamide
CID 38903577
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide
CID 1303655

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide (CID 741030) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide is O=C(Nc1nnc(Cc2ccccc2)s1)c1ccc(F)cc1.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide?
The InChIKey is CNRHJAIHQPJJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3OS/c17-13-8-6-12(7-9-13)15(21)18-16-20-19-14(22-16)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,20,21).
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide has a molecular weight of 313.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide is sourced from PubChem (CID 741030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).