5-bromo-N-(3,5-dibromopyrazin-2-yl)thiophene-2-carboxamide

C9H4Br3N3OS — CID 103756307

IUPAC5-bromo-N-(3,5-dibromopyrazin-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ncc(Br)nc1Br)c1ccc(Br)s1
InChIInChI=1S/C9H4Br3N3OS/c10-5-3-13-8(7(12)14-5)15-9(16)4-1-2-6(11)17-4/h1-3H,(H,13,15,16)
InChIKeyPXUDAZNAQCWREJ-UHFFFAOYSA-N
MW441.93 g/mol
LogP4.08
Rot. Bonds2

About 5-bromo-N-(3,5-dibromopyrazin-2-yl)thiophene-2-carboxamide

5-bromo-N-(3,5-dibromopyrazin-2-yl)thiophene-2-carboxamide (PubChem CID 103756307) has the molecular formula C9H4Br3N3OS and a molecular weight of 441.93 g/mol. Its IUPAC name is 5-bromo-N-(3,5-dibromopyrazin-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3,5-dibromopyrazin-2-yl)thiophene-2-carboxamide
PubChem CID103756307
Molecular FormulaC9H4Br3N3OS
Molecular Weight441.93 g/mol
Exact Mass438.76
IUPAC Name5-bromo-N-(3,5-dibromopyrazin-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ncc(Br)nc1Br)c1ccc(Br)s1
InChIInChI=1S/C9H4Br3N3OS/c10-5-3-13-8(7(12)14-5)15-9(16)4-1-2-6(11)17-4/h1-3H,(H,13,15,16)
InChIKeyPXUDAZNAQCWREJ-UHFFFAOYSA-N
XLogP4.08
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.93
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dibromopyrazin-2-yl)-4,5-dimethylthiophene-2-carboxamide
CID 113255867
4-chloro-N-(3,5-dibromopyrazin-2-yl)benzamide
CID 113255851
N-(3,5-dibromopyrazin-2-yl)-2,3-dihydroxybenzamide
CID 136996675
5-bromo-N-(2-bromo-3-pyridinyl)thiophene-2-carboxamide
CID 103819443
5-bromo-N-(3,5-dibromopyrazin-2-yl)-2-iodobenzamide
CID 114074313
5-bromo-N-(5-iodo-2-pyridinyl)thiophene-2-carboxamide
CID 65098648
3-bromo-N-(3,5-dibromopyrazin-2-yl)-2-fluorobenzamide
CID 114074315
N-(3,5-dibromopyrazin-2-yl)-2,5-difluorobenzamide
CID 113255841
N-(3,5-dibromopyrazin-2-yl)-1-benzofuran-2-carboxamide
CID 103756329
5-bromo-N-(2-phenylpyrimidin-5-yl)thiophene-2-carboxamide
CID 46439802
5-bromo-N-(1H-imidazol-2-yl)thiophene-2-carboxamide
CID 63563510
5-bromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide
CID 62353535

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,5-dibromopyrazin-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(3,5-dibromopyrazin-2-yl)thiophene-2-carboxamide (CID 103756307) is 5-bromo-N-(3,5-dibromopyrazin-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3,5-dibromopyrazin-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3,5-dibromopyrazin-2-yl)thiophene-2-carboxamide is O=C(Nc1ncc(Br)nc1Br)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(3,5-dibromopyrazin-2-yl)thiophene-2-carboxamide?
The InChIKey is PXUDAZNAQCWREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Br3N3OS/c10-5-3-13-8(7(12)14-5)15-9(16)4-1-2-6(11)17-4/h1-3H,(H,13,15,16).
What are the key properties of 5-bromo-N-(3,5-dibromopyrazin-2-yl)thiophene-2-carboxamide?
5-bromo-N-(3,5-dibromopyrazin-2-yl)thiophene-2-carboxamide has a molecular weight of 441.93 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,5-dibromopyrazin-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 103756307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).