N-(6-bromo-2-pyridinyl)thiadiazole-5-carboxamide

C8H5BrN4OS — CID 47785684

IUPACN-(6-bromo-2-pyridinyl)thiadiazole-5-carboxamide
SMILESO=C(Nc1cccc(Br)n1)c1cnns1
InChIInChI=1S/C8H5BrN4OS/c9-6-2-1-3-7(11-6)12-8(14)5-4-10-13-15-5/h1-4H,(H,11,12,14)
InChIKeyOUUVBVRUQJSVIU-UHFFFAOYSA-N
MW285.13 g/mol
LogP1.95
Rot. Bonds2

About N-(6-bromo-2-pyridinyl)thiadiazole-5-carboxamide

N-(6-bromo-2-pyridinyl)thiadiazole-5-carboxamide (PubChem CID 47785684) has the molecular formula C8H5BrN4OS and a molecular weight of 285.13 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)thiadiazole-5-carboxamide
PubChem CID47785684
Molecular FormulaC8H5BrN4OS
Molecular Weight285.13 g/mol
Exact Mass283.94
IUPAC NameN-(6-bromo-2-pyridinyl)thiadiazole-5-carboxamide
SMILESO=C(Nc1cccc(Br)n1)c1cnns1
InChIInChI=1S/C8H5BrN4OS/c9-6-2-1-3-7(11-6)12-8(14)5-4-10-13-15-5/h1-4H,(H,11,12,14)
InChIKeyOUUVBVRUQJSVIU-UHFFFAOYSA-N
XLogP1.95
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-2-pyridinyl)thiadiazole-5-carboxamide
CID 115683223
4,5-dibromo-N-(6-bromo-2-pyridinyl)thiophene-2-carboxamide
CID 78971768
N-(6-bromo-2-pyridinyl)benzamide
CID 43520453
6-bromo-N-(6-bromo-2-pyridinyl)pyridine-3-carboxamide
CID 59408764
N-(6-bromo-2-pyridinyl)-4-hydroxybenzamide
CID 43520413
3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide
CID 114022639
2-bromo-N-(6-bromo-2-pyridinyl)benzamide
CID 43520587
N-(3-hydroxyphenyl)thiadiazole-5-carboxamide
CID 65215150
4-bromo-N-(6-bromo-2-pyridinyl)-2-chlorobenzamide
CID 43805504
N-(6-bromo-2-pyridinyl)propanamide
CID 43520454
N-(6-bromo-2-pyridinyl)-1,2-oxazole-5-carboxamide
CID 43520484
N-(3-hydroxy-2-methylphenyl)thiadiazole-5-carboxamide
CID 65215255

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)thiadiazole-5-carboxamide (CID 47785684) is N-(6-bromo-2-pyridinyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)thiadiazole-5-carboxamide is O=C(Nc1cccc(Br)n1)c1cnns1.
What is the InChIKey of N-(6-bromo-2-pyridinyl)thiadiazole-5-carboxamide?
The InChIKey is OUUVBVRUQJSVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN4OS/c9-6-2-1-3-7(11-6)12-8(14)5-4-10-13-15-5/h1-4H,(H,11,12,14).
What are the key properties of N-(6-bromo-2-pyridinyl)thiadiazole-5-carboxamide?
N-(6-bromo-2-pyridinyl)thiadiazole-5-carboxamide has a molecular weight of 285.13 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 47785684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).