N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride

C10H15BrClN3O2S — CID 119384927

IUPACN-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
SMILESCC(NC(=O)c1ccc(Br)s1)C(=O)NCCN.Cl
InChIInChI=1S/C10H14BrN3O2S.ClH/c1-6(9(15)13-5-4-12)14-10(16)7-2-3-8(11)17-7;/h2-3,6H,4-5,12H2,1H3,(H,13,15)(H,14,16);1H
InChIKeyBMQAAGYIEMAMLB-UHFFFAOYSA-N
MW356.67 g/mol
LogP1.13
Rot. Bonds5

About N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride

N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride (PubChem CID 119384927) has the molecular formula C10H15BrClN3O2S and a molecular weight of 356.67 g/mol. Its IUPAC name is N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
PubChem CID119384927
Molecular FormulaC10H15BrClN3O2S
Molecular Weight356.67 g/mol
Exact Mass354.98
IUPAC NameN-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
SMILESCC(NC(=O)c1ccc(Br)s1)C(=O)NCCN.Cl
InChIInChI=1S/C10H14BrN3O2S.ClH/c1-6(9(15)13-5-4-12)14-10(16)7-2-3-8(11)17-7;/h2-3,6H,4-5,12H2,1H3,(H,13,15)(H,14,16);1H
InChIKeyBMQAAGYIEMAMLB-UHFFFAOYSA-N
XLogP1.13
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.67
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 120827801
5-bromo-N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55865383
N-[1-[(1-amino-2,3-dimethylbutan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119608372
5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide
CID 64997082
5-bromo-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94193223
5-bromo-N-[1-[[4-(4-chloroanilino)-4-oxobutyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55946496
5-bromo-N-[1-[[2-(4-bromophenyl)-2-methylpropyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55848136
5-bromo-N-[(2S)-1-oxo-1-[[(2S)-4-oxo-4-(propan-2-ylamino)butan-2-yl]amino]propan-2-yl]thiophene-2-carboxamide
CID 95778028
5-bromo-N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55833295
(2S,3S)-2-[2-[(5-bromothiophene-2-carbonyl)amino]propanoylamino]-3-methylpentanoic acid
CID 119193926
5-bromo-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119463754
5-bromo-N-[(2R)-1-[[1-(dimethylamino)cycloheptyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51963936

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride (CID 119384927) is N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride is CC(NC(=O)c1ccc(Br)s1)C(=O)NCCN.Cl.
What is the InChIKey of N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride?
The InChIKey is BMQAAGYIEMAMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2S.ClH/c1-6(9(15)13-5-4-12)14-10(16)7-2-3-8(11)17-7;/h2-3,6H,4-5,12H2,1H3,(H,13,15)(H,14,16);1H.
What are the key properties of N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride?
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride has a molecular weight of 356.67 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119384927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).