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

C15H9BrClN3O2S — CID 70685421

IUPAC5-bromo-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cc(Br)ccc1O
InChIInChI=1S/C15H9BrClN3O2S/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)
InChIKeyLTLITPXFLXVCAB-UHFFFAOYSA-N
MW410.68 g/mol
LogP4.58
Rot. Bonds3

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

5-bromo-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide (PubChem CID 70685421) has the molecular formula C15H9BrClN3O2S and a molecular weight of 410.68 g/mol. Its IUPAC name is 5-bromo-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide
PubChem CID70685421
Molecular FormulaC15H9BrClN3O2S
Molecular Weight410.68 g/mol
Exact Mass408.93
IUPAC Name5-bromo-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cc(Br)ccc1O
InChIInChI=1S/C15H9BrClN3O2S/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)
InChIKeyLTLITPXFLXVCAB-UHFFFAOYSA-N
XLogP4.58
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.68
LogP ≤ 54.58
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
Fak-IN-8
CID 60150400
5-chloro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide
CID 70681230
5-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide
CID 70685420
5-chloro-2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 30588982
5-bromo-2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 35566965
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
4-chloro-N-[5-(2,3-dihydroxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide;dihydrate
CID 137634195
5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 10044517
4-chloro-N-[5-(2,3-dihydroxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 137629714
5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxybenzamide
CID 24285257

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide (CID 70685421) is 5-bromo-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide is O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide?
The InChIKey is LTLITPXFLXVCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClN3O2S/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-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide?
5-bromo-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide has a molecular weight of 410.68 g/mol, XLogP of 4.58, 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-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide is sourced from PubChem (CID 70685421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).