N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride

C11H15Br2ClN2OS — CID 119575026

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride
SMILESCC(CN)(NC(=O)c1cc(Br)sc1Br)C1CC1.Cl
InChIInChI=1S/C11H14Br2N2OS.ClH/c1-11(5-14,6-2-3-6)15-10(16)7-4-8(12)17-9(7)13;/h4,6H,2-3,5,14H2,1H3,(H,15,16);1H
InChIKeyJCWMNHXRMURTCJ-UHFFFAOYSA-N
MW418.58 g/mol
LogP3.55
Rot. Bonds4

About N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride (PubChem CID 119575026) has the molecular formula C11H15Br2ClN2OS and a molecular weight of 418.58 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride
PubChem CID119575026
Molecular FormulaC11H15Br2ClN2OS
Molecular Weight418.58 g/mol
Exact Mass415.90
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride
SMILESCC(CN)(NC(=O)c1cc(Br)sc1Br)C1CC1.Cl
InChIInChI=1S/C11H14Br2N2OS.ClH/c1-11(5-14,6-2-3-6)15-10(16)7-4-8(12)17-9(7)13;/h4,6H,2-3,5,14H2,1H3,(H,15,16);1H
InChIKeyJCWMNHXRMURTCJ-UHFFFAOYSA-N
XLogP3.55
TPSA55.12 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 ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-4-bromothiophene-2-carboxamide;hydrochloride
CID 119572469
N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide
CID 103807196
N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dichlorobenzamide;hydrochloride
CID 119572690
N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide;hydrochloride
CID 119574490
N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119573720
N-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride
CID 119572423
N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-difluoro-2-iodobenzamide
CID 119573143
N-(1-amino-2-cyclopropylpropan-2-yl)-5-chloro-2-iodobenzamide;hydrochloride
CID 119573365
N-(1-amino-2-cyclopropylpropan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride
CID 119575379
N-(1-amino-2-cyclopropylpropan-2-yl)-2-ethylbenzamide
CID 115307666
N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-dimethoxy-2-methylbenzamide
CID 119575042
N-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide
CID 119572424

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride (CID 119575026) is N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride is CC(CN)(NC(=O)c1cc(Br)sc1Br)C1CC1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride?
The InChIKey is JCWMNHXRMURTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2OS.ClH/c1-11(5-14,6-2-3-6)15-10(16)7-4-8(12)17-9(7)13;/h4,6H,2-3,5,14H2,1H3,(H,15,16);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride has a molecular weight of 418.58 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119575026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).