2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide

C9H7BrN4OS — CID 103755613

IUPAC2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
SMILESCc1nsc(NC(=O)c2cccnc2Br)n1
InChIInChI=1S/C9H7BrN4OS/c1-5-12-9(16-14-5)13-8(15)6-3-2-4-11-7(6)10/h2-4H,1H3,(H,12,13,14,15)
InChIKeyIKZGQETVFUAVMK-UHFFFAOYSA-N
MW299.15 g/mol
LogP2.26
Rot. Bonds2

About 2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide

2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide (PubChem CID 103755613) has the molecular formula C9H7BrN4OS and a molecular weight of 299.15 g/mol. Its IUPAC name is 2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
PubChem CID103755613
Molecular FormulaC9H7BrN4OS
Molecular Weight299.15 g/mol
Exact Mass297.95
IUPAC Name2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
SMILESCc1nsc(NC(=O)c2cccnc2Br)n1
InChIInChI=1S/C9H7BrN4OS/c1-5-12-9(16-14-5)13-8(15)6-3-2-4-11-7(6)10/h2-4H,1H3,(H,12,13,14,15)
InChIKeyIKZGQETVFUAVMK-UHFFFAOYSA-N
XLogP2.26
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 52.26
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

2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
CID 115661246
2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide
CID 106854400
2-bromo-N-(2,6-dibromo-4-methylphenyl)pyridine-3-carboxamide
CID 114036150
2-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-carboxamide
CID 103758995
2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 113255532
2-bromo-N-(2-bromo-3-methylphenyl)pyridine-3-carboxamide
CID 104870910
2-bromo-N-(2,6-dibromophenyl)pyridine-3-carboxamide
CID 114036184
N-(3-methyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
CID 17013680
N-[3-(3-bromo-2,6-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide
CID 158537421
4-fluoro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
CID 115745910
2-(ethylamino)-3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide
CID 105387592
2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide
CID 115661242

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide (CID 103755613) is 2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide is Cc1nsc(NC(=O)c2cccnc2Br)n1.
What is the InChIKey of 2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide?
The InChIKey is IKZGQETVFUAVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4OS/c1-5-12-9(16-14-5)13-8(15)6-3-2-4-11-7(6)10/h2-4H,1H3,(H,12,13,14,15).
What are the key properties of 2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide?
2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide has a molecular weight of 299.15 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 103755613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).