2-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide

C10H15BrN4O2S — CID 55155295

IUPAC2-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide
SMILESNCC(c1cc(Br)cs1)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C10H15BrN4O2S/c11-6-1-8(18-5-6)7(2-12)15(3-9(13)16)4-10(14)17/h1,5,7H,2-4,12H2,(H2,13,16)(H2,14,17)
InChIKeyIAZGBDKBXUSZTK-UHFFFAOYSA-N
MW335.23 g/mol
LogP-0.22
Rot. Bonds7

About 2-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide

2-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide (PubChem CID 55155295) has the molecular formula C10H15BrN4O2S and a molecular weight of 335.23 g/mol. Its IUPAC name is 2-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide.

Molecular Properties

Compound Name2-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide
PubChem CID55155295
Molecular FormulaC10H15BrN4O2S
Molecular Weight335.23 g/mol
Exact Mass334.01
IUPAC Name2-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide
SMILESNCC(c1cc(Br)cs1)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C10H15BrN4O2S/c11-6-1-8(18-5-6)7(2-12)15(3-9(13)16)4-10(14)17/h1,5,7H,2-4,12H2,(H2,13,16)(H2,14,17)
InChIKeyIAZGBDKBXUSZTK-UHFFFAOYSA-N
XLogP-0.22
TPSA115.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-amino-1-(2-bromophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 55157785
(1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine
CID 131145468
1-[[[2-amino-1-(4-bromothiophen-2-yl)ethyl]-methylamino]methyl]cyclopentan-1-ol
CID 114948208
2-(4-bromothiophen-2-yl)-2-(dimethylamino)ethanol
CID 116857267
ethyl 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetate
CID 116914263
3-amino-3-(4-bromothiophen-2-yl)-N-methylpropanehydrazide
CID 116849246
1-(4-chlorothiophen-2-yl)-N,N-diethylethane-1,2-diamine
CID 79427710
2-[[2-amino-1-(4-chlorophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62921858
2-[[2-amino-1-(3-bromophenyl)ethyl]-(2-methylpropyl)amino]acetamide
CID 55018046
ethyl (3R)-3-amino-3-(4-bromothiophen-2-yl)-2-fluoropropanoate;hydrochloride
CID 171245711
1-(4-bromothiophen-2-yl)-N,N-dimethylbutane-1,4-diamine
CID 116905160
(4R)-4-amino-4-(4-bromothiophen-2-yl)butan-1-ol;hydrochloride
CID 171198523

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide?
The IUPAC name of 2-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide (CID 55155295) is 2-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide.
What is the SMILES notation for 2-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide?
The canonical SMILES for 2-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide is NCC(c1cc(Br)cs1)N(CC(N)=O)CC(N)=O.
What is the InChIKey of 2-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide?
The InChIKey is IAZGBDKBXUSZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O2S/c11-6-1-8(18-5-6)7(2-12)15(3-9(13)16)4-10(14)17/h1,5,7H,2-4,12H2,(H2,13,16)(H2,14,17).
What are the key properties of 2-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide?
2-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide has a molecular weight of 335.23 g/mol, XLogP of -0.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide is sourced from PubChem (CID 55155295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).