N-(3,5-dibromo-2-pyridinyl)-1,2,5-thiadiazole-3-carboxamide

C8H4Br2N4OS — CID 43842191

IUPACN-(3,5-dibromo-2-pyridinyl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(Nc1ncc(Br)cc1Br)c1cnsn1
InChIInChI=1S/C8H4Br2N4OS/c9-4-1-5(10)7(11-2-4)13-8(15)6-3-12-16-14-6/h1-3H,(H,11,13,15)
InChIKeyPVYGNADKHWVGLL-UHFFFAOYSA-N
MW364.02 g/mol
LogP2.71
Rot. Bonds2

About N-(3,5-dibromo-2-pyridinyl)-1,2,5-thiadiazole-3-carboxamide

N-(3,5-dibromo-2-pyridinyl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 43842191) has the molecular formula C8H4Br2N4OS and a molecular weight of 364.02 g/mol. Its IUPAC name is N-(3,5-dibromo-2-pyridinyl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dibromo-2-pyridinyl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID43842191
Molecular FormulaC8H4Br2N4OS
Molecular Weight364.02 g/mol
Exact Mass361.85
IUPAC NameN-(3,5-dibromo-2-pyridinyl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(Nc1ncc(Br)cc1Br)c1cnsn1
InChIInChI=1S/C8H4Br2N4OS/c9-4-1-5(10)7(11-2-4)13-8(15)6-3-12-16-14-6/h1-3H,(H,11,13,15)
InChIKeyPVYGNADKHWVGLL-UHFFFAOYSA-N
XLogP2.71
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.02
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-methyl-N-pyridin-2-ylpyrazine-2-carboxamide
CID 11206949
N-(5-bromo-6-methyl-2-pyridinyl)pyrazine-2-carboxamide
CID 2826197
6-Methyl-N-pyridin-2-ylpyrazine-2-carboxamide
CID 11171896
3-amino-6-bromo-N-pyridin-2-ylpyrazine-2-carboxamide
CID 11415160
3-amino-N-(pyridin-2-yl)pyrazine-2-carboxamide
CID 11183505
1-(2-Pyridinyl)-4-(1,2,5-thiadiazol-3-ylcarbonyl)piperazine
CID 977019
N-(5-fluoro-2-pyridinyl)-2H-triazole-4-carboxamide
CID 16663197
N-(2-pyridyl)pyrazine-2-carboxamide
CID 470919
6-Bromo-3-(dimethylamino)-N-2-pyridinyl-2-pyrazinecarboxamide
CID 44389242
3-amino-N-(3-bromo-4-pyridinyl)pyrazine-2-carboxamide
CID 52023984
3-amino-N-(2-bromo-4-pyridinyl)pyrazine-2-carboxamide
CID 155555715
N-(5-fluoro-2-pyridinyl)pyrazine-2-carboxamide
CID 129396879

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromo-2-pyridinyl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(3,5-dibromo-2-pyridinyl)-1,2,5-thiadiazole-3-carboxamide (CID 43842191) is N-(3,5-dibromo-2-pyridinyl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(3,5-dibromo-2-pyridinyl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(3,5-dibromo-2-pyridinyl)-1,2,5-thiadiazole-3-carboxamide is O=C(Nc1ncc(Br)cc1Br)c1cnsn1.
What is the InChIKey of N-(3,5-dibromo-2-pyridinyl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is PVYGNADKHWVGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2N4OS/c9-4-1-5(10)7(11-2-4)13-8(15)6-3-12-16-14-6/h1-3H,(H,11,13,15).
What are the key properties of N-(3,5-dibromo-2-pyridinyl)-1,2,5-thiadiazole-3-carboxamide?
N-(3,5-dibromo-2-pyridinyl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 364.02 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromo-2-pyridinyl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 43842191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).