N-(4-bromo-2,5-difluorophenyl)thiadiazole-5-carboxamide

C9H4BrF2N3OS — CID 103842612

IUPACN-(4-bromo-2,5-difluorophenyl)thiadiazole-5-carboxamide
SMILESO=C(Nc1cc(F)c(Br)cc1F)c1cnns1
InChIInChI=1S/C9H4BrF2N3OS/c10-4-1-6(12)7(2-5(4)11)14-9(16)8-3-13-15-17-8/h1-3H,(H,14,16)
InChIKeyXLXWSGJRZYPDPT-UHFFFAOYSA-N
MW320.12 g/mol
LogP2.83
Rot. Bonds2

About N-(4-bromo-2,5-difluorophenyl)thiadiazole-5-carboxamide

N-(4-bromo-2,5-difluorophenyl)thiadiazole-5-carboxamide (PubChem CID 103842612) has the molecular formula C9H4BrF2N3OS and a molecular weight of 320.12 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)thiadiazole-5-carboxamide
PubChem CID103842612
Molecular FormulaC9H4BrF2N3OS
Molecular Weight320.12 g/mol
Exact Mass318.92
IUPAC NameN-(4-bromo-2,5-difluorophenyl)thiadiazole-5-carboxamide
SMILESO=C(Nc1cc(F)c(Br)cc1F)c1cnns1
InChIInChI=1S/C9H4BrF2N3OS/c10-4-1-6(12)7(2-5(4)11)14-9(16)8-3-13-15-17-8/h1-3H,(H,14,16)
InChIKeyXLXWSGJRZYPDPT-UHFFFAOYSA-N
XLogP2.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.12
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-(thiadiazole-5-carbonylamino)benzoic acid
CID 55157917
5-amino-N-(4-bromo-2,5-difluorophenyl)pyrazine-2-carboxamide
CID 107616540
N-(4-bromo-2,5-difluorophenyl)-4-fluorobenzamide
CID 103842544
N-(5-fluoro-2-sulfamoylphenyl)thiadiazole-5-carboxamide
CID 65215733
2-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide
CID 103842464
4-[(4-bromo-2,5-difluorophenyl)carbamoyl]benzoic acid
CID 107615306
5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-hydroxybenzamide
CID 107729675
5-[(5-bromo-2,4-difluorophenyl)carbamoyl]thiophene-2-carboxylic acid
CID 102854653
4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide
CID 107616547
2-amino-N-(4-bromo-2,5-difluorophenyl)-2-ethylbutanamide
CID 107611725
5-amino-N-(4-bromo-2,5-difluorophenyl)-2,4-dimethylbenzamide
CID 107608755
N-(4-bromo-2,5-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 113330182

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)thiadiazole-5-carboxamide (CID 103842612) is N-(4-bromo-2,5-difluorophenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)thiadiazole-5-carboxamide is O=C(Nc1cc(F)c(Br)cc1F)c1cnns1.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)thiadiazole-5-carboxamide?
The InChIKey is XLXWSGJRZYPDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF2N3OS/c10-4-1-6(12)7(2-5(4)11)14-9(16)8-3-13-15-17-8/h1-3H,(H,14,16).
What are the key properties of N-(4-bromo-2,5-difluorophenyl)thiadiazole-5-carboxamide?
N-(4-bromo-2,5-difluorophenyl)thiadiazole-5-carboxamide has a molecular weight of 320.12 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-difluorophenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 103842612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).