2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride

C7H10BrClN2OS — CID 119292889

IUPAC2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride
SMILESCl.NCC(=O)NCc1ccc(Br)s1
InChIInChI=1S/C7H9BrN2OS.ClH/c8-6-2-1-5(12-6)4-10-7(11)3-9;/h1-2H,3-4,9H2,(H,10,11);1H
InChIKeyXJIDQFCJCFKOEA-UHFFFAOYSA-N
MW285.59 g/mol
LogP1.51
Rot. Bonds3

About 2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride

2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride (PubChem CID 119292889) has the molecular formula C7H10BrClN2OS and a molecular weight of 285.59 g/mol. Its IUPAC name is 2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride
PubChem CID119292889
Molecular FormulaC7H10BrClN2OS
Molecular Weight285.59 g/mol
Exact Mass283.94
IUPAC Name2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride
SMILESCl.NCC(=O)NCc1ccc(Br)s1
InChIInChI=1S/C7H9BrN2OS.ClH/c8-6-2-1-5(12-6)4-10-7(11)3-9;/h1-2H,3-4,9H2,(H,10,11);1H
InChIKeyXJIDQFCJCFKOEA-UHFFFAOYSA-N
XLogP1.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.59
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenyl)-N-[(5-bromothiophen-2-yl)methyl]acetamide
CID 54904398
2-amino-4-[(5-bromothiophen-2-yl)methylamino]-4-oxobutanoic acid
CID 115181064
ethyl 3-[(5-bromothiophen-2-yl)methylamino]-3-oxopropanoate
CID 115138552
N-[(5-bromothiophen-2-yl)methyl]pentanamide
CID 60738185
5-[(5-bromothiophen-2-yl)methylamino]-5-oxopentanoic acid
CID 61011624
N-[(5-bromothiophen-2-yl)methyl]-5-hydroxypentanamide
CID 79210221
2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methylpropanamide
CID 61265834
2-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid
CID 61328653
N-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide
CID 49488269
N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 32776290
N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 32774847
N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 32775769

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride (CID 119292889) is 2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride is Cl.NCC(=O)NCc1ccc(Br)s1.
What is the InChIKey of 2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride?
The InChIKey is XJIDQFCJCFKOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2OS.ClH/c8-6-2-1-5(12-6)4-10-7(11)3-9;/h1-2H,3-4,9H2,(H,10,11);1H.
What are the key properties of 2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride?
2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride has a molecular weight of 285.59 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119292889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).