2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluorobenzamide

C11H9BrFN3OS — CID 113250709

IUPAC2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluorobenzamide
SMILESCCc1nnc(NC(=O)c2c(F)cccc2Br)s1
InChIInChI=1S/C11H9BrFN3OS/c1-2-8-15-16-11(18-8)14-10(17)9-6(12)4-3-5-7(9)13/h3-5H,2H2,1H3,(H,14,16,17)
InChIKeyIIPPEOYBONKATD-UHFFFAOYSA-N
MW330.18 g/mol
LogP3.25
Rot. Bonds3

About 2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluorobenzamide

2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluorobenzamide (PubChem CID 113250709) has the molecular formula C11H9BrFN3OS and a molecular weight of 330.18 g/mol. Its IUPAC name is 2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluorobenzamide
PubChem CID113250709
Molecular FormulaC11H9BrFN3OS
Molecular Weight330.18 g/mol
Exact Mass328.96
IUPAC Name2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluorobenzamide
SMILESCCc1nnc(NC(=O)c2c(F)cccc2Br)s1
InChIInChI=1S/C11H9BrFN3OS/c1-2-8-15-16-11(18-8)14-10(17)9-6(12)4-3-5-7(9)13/h3-5H,2H2,1H3,(H,14,16,17)
InChIKeyIIPPEOYBONKATD-UHFFFAOYSA-N
XLogP3.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 110451183
N-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 51144083
2-chloro-N-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-6-fluorobenzamide
CID 93205844
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-2-fluorobenzamide
CID 54787169
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-8-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
CID 43832096
2-bromo-N-(3-ethylphenyl)-6-fluorobenzamide
CID 113250708
5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 874241
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide
CID 2475480
3-bromo-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 23909333
2,6-dichloro-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 17311642
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401
5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
CID 107641297

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluorobenzamide?
The IUPAC name of 2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluorobenzamide (CID 113250709) is 2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluorobenzamide is CCc1nnc(NC(=O)c2c(F)cccc2Br)s1.
What is the InChIKey of 2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluorobenzamide?
The InChIKey is IIPPEOYBONKATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3OS/c1-2-8-15-16-11(18-8)14-10(17)9-6(12)4-3-5-7(9)13/h3-5H,2H2,1H3,(H,14,16,17).
What are the key properties of 2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluorobenzamide?
2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluorobenzamide has a molecular weight of 330.18 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluorobenzamide is sourced from PubChem (CID 113250709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).