N-[(4-bromothiophen-2-yl)methyl]formamide

C6H6BrNOS — CID 64991797

IUPACN-[(4-bromothiophen-2-yl)methyl]formamide
SMILESO=CNCc1cc(Br)cs1
InChIInChI=1S/C6H6BrNOS/c7-5-1-6(10-3-5)2-8-4-9/h1,3-4H,2H2,(H,8,9)
InChIKeyPQEMKORAVBVOCS-UHFFFAOYSA-N
MW220.09 g/mol
LogP1.76
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]formamide

N-[(4-bromothiophen-2-yl)methyl]formamide (PubChem CID 64991797) has the molecular formula C6H6BrNOS and a molecular weight of 220.09 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]formamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]formamide
PubChem CID64991797
Molecular FormulaC6H6BrNOS
Molecular Weight220.09 g/mol
Exact Mass218.94
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]formamide
SMILESO=CNCc1cc(Br)cs1
InChIInChI=1S/C6H6BrNOS/c7-5-1-6(10-3-5)2-8-4-9/h1,3-4H,2H2,(H,8,9)
InChIKeyPQEMKORAVBVOCS-UHFFFAOYSA-N
XLogP1.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.09
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]formamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]formamide (CID 64991797) is N-[(4-bromothiophen-2-yl)methyl]formamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]formamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]formamide is O=CNCc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]formamide?
The InChIKey is PQEMKORAVBVOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNOS/c7-5-1-6(10-3-5)2-8-4-9/h1,3-4H,2H2,(H,8,9).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]formamide?
N-[(4-bromothiophen-2-yl)methyl]formamide has a molecular weight of 220.09 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]formamide is sourced from PubChem (CID 64991797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).