3-bromo-N-(3-chloropyrazin-2-yl)thiophene-2-carboxamide

C9H5BrClN3OS — CID 102989148

IUPAC3-bromo-N-(3-chloropyrazin-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nccnc1Cl)c1sccc1Br
InChIInChI=1S/C9H5BrClN3OS/c10-5-1-4-16-6(5)9(15)14-8-7(11)12-2-3-13-8/h1-4H,(H,13,14,15)
InChIKeyCLJMGKZETIERTD-UHFFFAOYSA-N
MW318.58 g/mol
LogP3.21
Rot. Bonds2

About 3-bromo-N-(3-chloropyrazin-2-yl)thiophene-2-carboxamide

3-bromo-N-(3-chloropyrazin-2-yl)thiophene-2-carboxamide (PubChem CID 102989148) has the molecular formula C9H5BrClN3OS and a molecular weight of 318.58 g/mol. Its IUPAC name is 3-bromo-N-(3-chloropyrazin-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(3-chloropyrazin-2-yl)thiophene-2-carboxamide
PubChem CID102989148
Molecular FormulaC9H5BrClN3OS
Molecular Weight318.58 g/mol
Exact Mass316.90
IUPAC Name3-bromo-N-(3-chloropyrazin-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nccnc1Cl)c1sccc1Br
InChIInChI=1S/C9H5BrClN3OS/c10-5-1-4-16-6(5)9(15)14-8-7(11)12-2-3-13-8/h1-4H,(H,13,14,15)
InChIKeyCLJMGKZETIERTD-UHFFFAOYSA-N
XLogP3.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.58
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-bromothiophene-2-carbonyl)amino]pyrazine-2-carboxylic acid
CID 63802580
3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride
CID 88521756
3-bromo-N-(1-methylimidazol-2-yl)thiophene-2-carboxamide
CID 131043350
3-bromo-N-(2,4,6-trichlorophenyl)thiophene-2-carboxamide
CID 63799545
3-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 103738307
2-bromo-N-(3-chloropyrazin-2-yl)-4-methylbenzamide
CID 102989362
2-bromo-N-(3-chloropyrazin-2-yl)-5-methylbenzamide
CID 102989369
N-(3-chloropyrazin-2-yl)-1H-pyrazole-5-carboxamide
CID 102989436
3-bromo-N-(5-fluoro-2-pyridinyl)thiophene-2-carboxamide
CID 63236031
3-bromo-N-(6-fluoro-3-pyridinyl)thiophene-2-carboxamide
CID 103789932
3-bromo-N-(6-oxo-1H-pyridazin-3-yl)thiophene-2-carboxamide
CID 116787231
3-amino-N-(3-chloro-2-pyridinyl)thiophene-2-carboxamide
CID 103093844

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-chloropyrazin-2-yl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(3-chloropyrazin-2-yl)thiophene-2-carboxamide (CID 102989148) is 3-bromo-N-(3-chloropyrazin-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(3-chloropyrazin-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(3-chloropyrazin-2-yl)thiophene-2-carboxamide is O=C(Nc1nccnc1Cl)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(3-chloropyrazin-2-yl)thiophene-2-carboxamide?
The InChIKey is CLJMGKZETIERTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClN3OS/c10-5-1-4-16-6(5)9(15)14-8-7(11)12-2-3-13-8/h1-4H,(H,13,14,15).
What are the key properties of 3-bromo-N-(3-chloropyrazin-2-yl)thiophene-2-carboxamide?
3-bromo-N-(3-chloropyrazin-2-yl)thiophene-2-carboxamide has a molecular weight of 318.58 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-chloropyrazin-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 102989148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).