N-(2-bromophenyl)-4-(4-fluorophenyl)thiadiazole-5-carboxamide

C15H9BrFN3OS — CID 100749567

IUPACN-(2-bromophenyl)-4-(4-fluorophenyl)thiadiazole-5-carboxamide
SMILESO=C(Nc1ccccc1Br)c1snnc1-c1ccc(F)cc1
InChIInChI=1S/C15H9BrFN3OS/c16-11-3-1-2-4-12(11)18-15(21)14-13(19-20-22-14)9-5-7-10(17)8-6-9/h1-8H,(H,18,21)
InChIKeyGTKQDXFODOWNMY-UHFFFAOYSA-N
MW378.23 g/mol
LogP4.36
Rot. Bonds3

About N-(2-bromophenyl)-4-(4-fluorophenyl)thiadiazole-5-carboxamide

N-(2-bromophenyl)-4-(4-fluorophenyl)thiadiazole-5-carboxamide (PubChem CID 100749567) has the molecular formula C15H9BrFN3OS and a molecular weight of 378.23 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-(4-fluorophenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-(4-fluorophenyl)thiadiazole-5-carboxamide
PubChem CID100749567
Molecular FormulaC15H9BrFN3OS
Molecular Weight378.23 g/mol
Exact Mass376.96
IUPAC NameN-(2-bromophenyl)-4-(4-fluorophenyl)thiadiazole-5-carboxamide
SMILESO=C(Nc1ccccc1Br)c1snnc1-c1ccc(F)cc1
InChIInChI=1S/C15H9BrFN3OS/c16-11-3-1-2-4-12(11)18-15(21)14-13(19-20-22-14)9-5-7-10(17)8-6-9/h1-8H,(H,18,21)
InChIKeyGTKQDXFODOWNMY-UHFFFAOYSA-N
XLogP4.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-4-phenylthiadiazole-5-carboxamide
CID 100745447
4-(4-fluorophenyl)-N-(2-phenoxyphenyl)thiadiazole-5-carboxamide
CID 100750257
4-(4-bromophenyl)-N-(2-ethylphenyl)thiadiazole-5-carboxamide
CID 100750626
N-(2-chlorophenyl)-4-phenylthiadiazole-5-carboxamide
CID 100745439
N-(2-bromo-5-fluorophenyl)-4-methylthiadiazole-5-carboxamide
CID 103579445
methyl 2-[[4-(4-methylphenyl)thiadiazole-5-carbonyl]amino]benzoate
CID 100748907
N-(2-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751885
4-(4-bromophenyl)-N-(2,6-dimethylphenyl)thiadiazole-5-carboxamide
CID 100750600
N-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748644
N-(2-methoxyphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747133
N-(2-bromophenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497775
4-(4-bromophenyl)-N-(4-carbamoylphenyl)thiadiazole-5-carboxamide
CID 100750972

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-(4-fluorophenyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(2-bromophenyl)-4-(4-fluorophenyl)thiadiazole-5-carboxamide (CID 100749567) is N-(2-bromophenyl)-4-(4-fluorophenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-4-(4-fluorophenyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-4-(4-fluorophenyl)thiadiazole-5-carboxamide is O=C(Nc1ccccc1Br)c1snnc1-c1ccc(F)cc1.
What is the InChIKey of N-(2-bromophenyl)-4-(4-fluorophenyl)thiadiazole-5-carboxamide?
The InChIKey is GTKQDXFODOWNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrFN3OS/c16-11-3-1-2-4-12(11)18-15(21)14-13(19-20-22-14)9-5-7-10(17)8-6-9/h1-8H,(H,18,21).
What are the key properties of N-(2-bromophenyl)-4-(4-fluorophenyl)thiadiazole-5-carboxamide?
N-(2-bromophenyl)-4-(4-fluorophenyl)thiadiazole-5-carboxamide has a molecular weight of 378.23 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4-(4-fluorophenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 100749567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).