5-bromo-N-(1-cyanoethyl)thiophene-2-carboxamide

C8H7BrN2OS — CID 61121832

IUPAC5-bromo-N-(1-cyanoethyl)thiophene-2-carboxamide
SMILESCC(C#N)NC(=O)c1ccc(Br)s1
InChIInChI=1S/C8H7BrN2OS/c1-5(4-10)11-8(12)6-2-3-7(9)13-6/h2-3,5H,1H3,(H,11,12)
InChIKeyZYIOXNJPJLCKBX-UHFFFAOYSA-N
MW259.13 g/mol
LogP2.15
Rot. Bonds2

About 5-bromo-N-(1-cyanoethyl)thiophene-2-carboxamide

5-bromo-N-(1-cyanoethyl)thiophene-2-carboxamide (PubChem CID 61121832) has the molecular formula C8H7BrN2OS and a molecular weight of 259.13 g/mol. Its IUPAC name is 5-bromo-N-(1-cyanoethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-cyanoethyl)thiophene-2-carboxamide
PubChem CID61121832
Molecular FormulaC8H7BrN2OS
Molecular Weight259.13 g/mol
Exact Mass257.95
IUPAC Name5-bromo-N-(1-cyanoethyl)thiophene-2-carboxamide
SMILESCC(C#N)NC(=O)c1ccc(Br)s1
InChIInChI=1S/C8H7BrN2OS/c1-5(4-10)11-8(12)6-2-3-7(9)13-6/h2-3,5H,1H3,(H,11,12)
InChIKeyZYIOXNJPJLCKBX-UHFFFAOYSA-N
XLogP2.15
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide
CID 64997082
5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide
CID 47097752
5-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-carboxamide
CID 114305407
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide
CID 61247480
5-bromo-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94193223
5-bromo-N-(1-bromo-4-methylpentan-3-yl)thiophene-2-carboxamide
CID 106355067
5-bromo-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide
CID 104981493
5-bromo-N-(2-methylpropoxy)thiophene-2-carboxamide
CID 115409767
N-(1-aminobutan-2-yl)-5-bromothiophene-2-carboxamide
CID 65193455
5-bromo-N-[1-(4-bromophenyl)propan-2-yl]thiophene-2-carboxamide
CID 47210807
5-bromo-N-hex-5-yn-3-ylthiophene-2-carboxamide
CID 115647089
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119384927

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyanoethyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(1-cyanoethyl)thiophene-2-carboxamide (CID 61121832) is 5-bromo-N-(1-cyanoethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-cyanoethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1-cyanoethyl)thiophene-2-carboxamide is CC(C#N)NC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(1-cyanoethyl)thiophene-2-carboxamide?
The InChIKey is ZYIOXNJPJLCKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2OS/c1-5(4-10)11-8(12)6-2-3-7(9)13-6/h2-3,5H,1H3,(H,11,12).
What are the key properties of 5-bromo-N-(1-cyanoethyl)thiophene-2-carboxamide?
5-bromo-N-(1-cyanoethyl)thiophene-2-carboxamide has a molecular weight of 259.13 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-cyanoethyl)thiophene-2-carboxamide is sourced from PubChem (CID 61121832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).