2-amino-1-(5-bromo-4-methylthiophen-2-yl)ethanone

C7H8BrNOS — CID 79997206

IUPAC2-amino-1-(5-bromo-4-methylthiophen-2-yl)ethanone
SMILESCc1cc(C(=O)CN)sc1Br
InChIInChI=1S/C7H8BrNOS/c1-4-2-6(5(10)3-9)11-7(4)8/h2H,3,9H2,1H3
InChIKeyHLMPPSLMUYLVKZ-UHFFFAOYSA-N
MW234.12 g/mol
LogP1.96
Rot. Bonds2

About 2-amino-1-(5-bromo-4-methylthiophen-2-yl)ethanone

2-amino-1-(5-bromo-4-methylthiophen-2-yl)ethanone (PubChem CID 79997206) has the molecular formula C7H8BrNOS and a molecular weight of 234.12 g/mol. Its IUPAC name is 2-amino-1-(5-bromo-4-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(5-bromo-4-methylthiophen-2-yl)ethanone
PubChem CID79997206
Molecular FormulaC7H8BrNOS
Molecular Weight234.12 g/mol
Exact Mass232.95
IUPAC Name2-amino-1-(5-bromo-4-methylthiophen-2-yl)ethanone
SMILESCc1cc(C(=O)CN)sc1Br
InChIInChI=1S/C7H8BrNOS/c1-4-2-6(5(10)3-9)11-7(4)8/h2H,3,9H2,1H3
InChIKeyHLMPPSLMUYLVKZ-UHFFFAOYSA-N
XLogP1.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.12
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)octan-1-one
CID 79997565
1-(5-bromo-4-methylthiophen-2-yl)-2-ethoxyethanone
CID 115782885
2-[2-(5-bromo-4-methylthiophen-2-yl)-2-oxoethoxy]acetic acid
CID 79997142
4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 79996886
5-(5-bromo-4-methylthiophen-2-yl)-3,3-dimethyl-5-oxopentanoic acid
CID 79997573
1-(5-bromo-4-methylthiophen-2-yl)-2-(2-bromophenyl)ethanone
CID 114962510
1-(5-bromo-4-methylthiophen-2-yl)-2-(4-fluorophenyl)ethanone
CID 79989856
N-[(2S)-1-aminopropan-2-yl]-5-bromo-4-methylthiophene-2-carboxamide;hydrochloride
CID 130662551
2-amino-1-(5-bromo-4-nitrothiophen-2-yl)ethanone
CID 130981635
[(5-bromo-4-methylthiophene-2-carbonyl)amino]urea
CID 79996515
1-(5-bromo-4-methylthiophen-2-yl)-2-(cyclopenten-1-yl)ethanone
CID 130961567
1-(5-bromo-4-methylthiophen-2-yl)-2,2,2-trifluoroethanone
CID 81428929

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-bromo-4-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-amino-1-(5-bromo-4-methylthiophen-2-yl)ethanone (CID 79997206) is 2-amino-1-(5-bromo-4-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-amino-1-(5-bromo-4-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-amino-1-(5-bromo-4-methylthiophen-2-yl)ethanone is Cc1cc(C(=O)CN)sc1Br.
What is the InChIKey of 2-amino-1-(5-bromo-4-methylthiophen-2-yl)ethanone?
The InChIKey is HLMPPSLMUYLVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNOS/c1-4-2-6(5(10)3-9)11-7(4)8/h2H,3,9H2,1H3.
What are the key properties of 2-amino-1-(5-bromo-4-methylthiophen-2-yl)ethanone?
2-amino-1-(5-bromo-4-methylthiophen-2-yl)ethanone has a molecular weight of 234.12 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-bromo-4-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 79997206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).