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

C13H8FN3OS2 — CID 741037

IUPAC4-fluoro-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccs2)s1)c1ccc(F)cc1
InChIInChI=1S/C13H8FN3OS2/c14-9-5-3-8(4-6-9)11(18)15-13-17-16-12(20-13)10-2-1-7-19-10/h1-7H,(H,15,17,18)
InChIKeySRQNCEADDRARJL-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.66
Rot. Bonds3

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

4-fluoro-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 741037) has the molecular formula C13H8FN3OS2 and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-fluoro-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID741037
Molecular FormulaC13H8FN3OS2
Molecular Weight305.36 g/mol
Exact Mass305.01
IUPAC Name4-fluoro-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccs2)s1)c1ccc(F)cc1
InChIInChI=1S/C13H8FN3OS2/c14-9-5-3-8(4-6-9)11(18)15-13-17-16-12(20-13)10-2-1-7-19-10/h1-7H,(H,15,17,18)
InChIKeySRQNCEADDRARJL-UHFFFAOYSA-N
XLogP3.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-thiophenecarboxamide
CID 1245444
3-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3669135
2-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 878365
3-fluoro-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 3152692
2-fluoro-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3733180
N-(5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 4116600
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 8438614
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylthiophene-3-carboxamide
CID 9460401
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide
CID 25162698
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 665475
N-[5-(4-Methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 569511
N-(5-benzyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 644784

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 741037) is 4-fluoro-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nnc(-c2cccs2)s1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is SRQNCEADDRARJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3OS2/c14-9-5-3-8(4-6-9)11(18)15-13-17-16-12(20-13)10-2-1-7-19-10/h1-7H,(H,15,17,18).
What are the key properties of 4-fluoro-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
4-fluoro-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 305.36 g/mol, XLogP of 3.66, 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-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 741037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).