2,5-dibromo-N-(2-pyrrolidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride

C11H15Br2ClN2OS — CID 119536966

IUPAC2,5-dibromo-N-(2-pyrrolidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1cc(Br)sc1Br
InChIInChI=1S/C11H14Br2N2OS.ClH/c12-9-5-8(10(13)17-9)11(16)15-4-2-7-1-3-14-6-7;/h5,7,14H,1-4,6H2,(H,15,16);1H
InChIKeyCIUXJEMJHIRTRA-UHFFFAOYSA-N
MW418.58 g/mol
LogP3.42
Rot. Bonds4

About 2,5-dibromo-N-(2-pyrrolidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride

2,5-dibromo-N-(2-pyrrolidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride (PubChem CID 119536966) has the molecular formula C11H15Br2ClN2OS and a molecular weight of 418.58 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-pyrrolidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2,5-dibromo-N-(2-pyrrolidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride
PubChem CID119536966
Molecular FormulaC11H15Br2ClN2OS
Molecular Weight418.58 g/mol
Exact Mass415.90
IUPAC Name2,5-dibromo-N-(2-pyrrolidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1cc(Br)sc1Br
InChIInChI=1S/C11H14Br2N2OS.ClH/c12-9-5-8(10(13)17-9)11(16)15-4-2-7-1-3-14-6-7;/h5,7,14H,1-4,6H2,(H,15,16);1H
InChIKeyCIUXJEMJHIRTRA-UHFFFAOYSA-N
XLogP3.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630406
3-bromo-5-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534037
2-chloro-4,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536489
2,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534638
2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536472
5-bromo-6-oxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyridine-3-carboxamide;hydrochloride
CID 119537569
2-bromo-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63623606
3-bromo-5-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 113460894
1-hydroxy-N-(2-pyrrolidin-3-ylethyl)naphthalene-2-carboxamide
CID 63622131
3-bromo-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride
CID 119536297
N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide;hydrochloride
CID 119534635
7-fluoro-N-(2-pyrrolidin-3-ylethyl)quinoxaline-5-carboxamide;dihydrochloride
CID 119535235

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-pyrrolidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride?
The IUPAC name of 2,5-dibromo-N-(2-pyrrolidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride (CID 119536966) is 2,5-dibromo-N-(2-pyrrolidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for 2,5-dibromo-N-(2-pyrrolidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride?
The canonical SMILES for 2,5-dibromo-N-(2-pyrrolidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride is Cl.O=C(NCCC1CCNC1)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-(2-pyrrolidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride?
The InChIKey is CIUXJEMJHIRTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2OS.ClH/c12-9-5-8(10(13)17-9)11(16)15-4-2-7-1-3-14-6-7;/h5,7,14H,1-4,6H2,(H,15,16);1H.
What are the key properties of 2,5-dibromo-N-(2-pyrrolidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride?
2,5-dibromo-N-(2-pyrrolidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride has a molecular weight of 418.58 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2-pyrrolidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119536966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).