N-[2-(5-bromothiophen-2-yl)ethyl]formamide

C7H8BrNOS — CID 106043586

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]formamide
SMILESO=CNCCc1ccc(Br)s1
InChIInChI=1S/C7H8BrNOS/c8-7-2-1-6(11-7)3-4-9-5-10/h1-2,5H,3-4H2,(H,9,10)
InChIKeyZEWOQNKFZKOBRV-UHFFFAOYSA-N
MW234.12 g/mol
LogP1.80
Rot. Bonds4

About N-[2-(5-bromothiophen-2-yl)ethyl]formamide

N-[2-(5-bromothiophen-2-yl)ethyl]formamide (PubChem CID 106043586) has the molecular formula C7H8BrNOS and a molecular weight of 234.12 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]formamide
PubChem CID106043586
Molecular FormulaC7H8BrNOS
Molecular Weight234.12 g/mol
Exact Mass232.95
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]formamide
SMILESO=CNCCc1ccc(Br)s1
InChIInChI=1S/C7H8BrNOS/c8-7-2-1-6(11-7)3-4-9-5-10/h1-2,5H,3-4H2,(H,9,10)
InChIKeyZEWOQNKFZKOBRV-UHFFFAOYSA-N
XLogP1.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.12
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]but-3-en-1-amine
CID 106046795
2-(5-bromothiophen-2-yl)-N-iodoethanamine
CID 134427981
N'-[2-(5-bromothiophen-2-yl)ethyl]propane-1,3-diamine
CID 106042832
(2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol
CID 96666636
5-(5-bromothiophen-2-yl)-N-propan-2-ylpentan-1-amine
CID 65305713
6-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-1-amine
CID 65306600
2-(5-bromothiophen-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 113227156
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 106047111
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide
CID 115140909
N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylpentan-1-amine
CID 106043149
2-(5-bromothiophen-2-yl)-N-(pyridin-4-ylmethyl)ethanamine;hydrochloride
CID 115593241

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]formamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]formamide (CID 106043586) is N-[2-(5-bromothiophen-2-yl)ethyl]formamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]formamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]formamide is O=CNCCc1ccc(Br)s1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]formamide?
The InChIKey is ZEWOQNKFZKOBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNOS/c8-7-2-1-6(11-7)3-4-9-5-10/h1-2,5H,3-4H2,(H,9,10).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]formamide?
N-[2-(5-bromothiophen-2-yl)ethyl]formamide has a molecular weight of 234.12 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]formamide is sourced from PubChem (CID 106043586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).