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

C15H9BrFN3O2S — CID 70685420

IUPAC5-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide
SMILESO=C(Nc1nnc(-c2ccc(F)cc2)s1)c1cc(Br)ccc1O
InChIInChI=1S/C15H9BrFN3O2S/c16-9-3-6-12(21)11(7-9)13(22)18-15-20-19-14(23-15)8-1-4-10(17)5-2-8/h1-7,21H,(H,18,20,22)
InChIKeyREXPQDWOYBKXBN-UHFFFAOYSA-N
MW394.23 g/mol
LogP4.06
Rot. Bonds3

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

5-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide (PubChem CID 70685420) has the molecular formula C15H9BrFN3O2S and a molecular weight of 394.23 g/mol. Its IUPAC name is 5-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide
PubChem CID70685420
Molecular FormulaC15H9BrFN3O2S
Molecular Weight394.23 g/mol
Exact Mass392.96
IUPAC Name5-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide
SMILESO=C(Nc1nnc(-c2ccc(F)cc2)s1)c1cc(Br)ccc1O
InChIInChI=1S/C15H9BrFN3O2S/c16-9-3-6-12(21)11(7-9)13(22)18-15-20-19-14(23-15)8-1-4-10(17)5-2-8/h1-7,21H,(H,18,20,22)
InChIKeyREXPQDWOYBKXBN-UHFFFAOYSA-N
XLogP4.06
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.23
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1121149
5-chloro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide
CID 70681230
5-bromo-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide
CID 70685421
2-Hydroxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 578064
5-bromo-2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 35566965
2-hydroxy-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 70683312
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide
CID 70683314
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide
CID 70695939
3,5-dibromo-2-hydroxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 44274574
Prostaglandin E2 Inhibitor 3
CID 171344955
N-(5-Ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxybenzamide
CID 578036
N-(5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 3251286

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide (CID 70685420) is 5-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide is O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide?
The InChIKey is REXPQDWOYBKXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrFN3O2S/c16-9-3-6-12(21)11(7-9)13(22)18-15-20-19-14(23-15)8-1-4-10(17)5-2-8/h1-7,21H,(H,18,20,22).
What are the key properties of 5-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide?
5-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide has a molecular weight of 394.23 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide is sourced from PubChem (CID 70685420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).