5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide

C11H16BrN3OS — CID 43600302

IUPAC5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCCN1CCNCC1)c1ccc(Br)s1
InChIInChI=1S/C11H16BrN3OS/c12-10-2-1-9(17-10)11(16)14-5-8-15-6-3-13-4-7-15/h1-2,13H,3-8H2,(H,14,16)
InChIKeyBZPWLNQKGULFGZ-UHFFFAOYSA-N
MW318.24 g/mol
LogP1.15
Rot. Bonds4

About 5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide

5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide (PubChem CID 43600302) has the molecular formula C11H16BrN3OS and a molecular weight of 318.24 g/mol. Its IUPAC name is 5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
PubChem CID43600302
Molecular FormulaC11H16BrN3OS
Molecular Weight318.24 g/mol
Exact Mass317.02
IUPAC Name5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCCN1CCNCC1)c1ccc(Br)s1
InChIInChI=1S/C11H16BrN3OS/c12-10-2-1-9(17-10)11(16)14-5-8-15-6-3-13-4-7-15/h1-2,13H,3-8H2,(H,14,16)
InChIKeyBZPWLNQKGULFGZ-UHFFFAOYSA-N
XLogP1.15
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
CID 55029116
2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide
CID 43422024
5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide
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N-(2-piperazin-1-ylethyl)-4-sulfanylthiophene-2-carboxamide
CID 107024051
6-fluoro-N-(2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide
CID 81105318
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81471524
N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 119391130
N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119446239
5-bromo-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide
CID 55139382
3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzamide
CID 107990091
5-chloro-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 25237516

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide (CID 43600302) is 5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide is O=C(NCCN1CCNCC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide?
The InChIKey is BZPWLNQKGULFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3OS/c12-10-2-1-9(17-10)11(16)14-5-8-15-6-3-13-4-7-15/h1-2,13H,3-8H2,(H,14,16).
What are the key properties of 5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide?
5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide has a molecular weight of 318.24 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 43600302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).