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

C6H6BrNOS — CID 64992685

IUPACN-[(5-bromothiophen-2-yl)methyl]formamide
SMILESO=CNCc1ccc(Br)s1
InChIInChI=1S/C6H6BrNOS/c7-6-2-1-5(10-6)3-8-4-9/h1-2,4H,3H2,(H,8,9)
InChIKeyGEXAJEVPHGXZGF-UHFFFAOYSA-N
MW220.09 g/mol
LogP1.76
Rot. Bonds3

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

N-[(5-bromothiophen-2-yl)methyl]formamide (PubChem CID 64992685) has the molecular formula C6H6BrNOS and a molecular weight of 220.09 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]formamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]formamide
PubChem CID64992685
Molecular FormulaC6H6BrNOS
Molecular Weight220.09 g/mol
Exact Mass218.94
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]formamide
SMILESO=CNCc1ccc(Br)s1
InChIInChI=1S/C6H6BrNOS/c7-6-2-1-5(10-6)3-8-4-9/h1-2,4H,3H2,(H,8,9)
InChIKeyGEXAJEVPHGXZGF-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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Related Compounds

(5-Bromothiophen-2-yl)methanamine
CID 23130577
[(5-Bromothiophen-2-yl)methyl](methyl)amine
CID 2449439
tert-Butyl ((5-bromothiophen-2-yl)methyl)carbamate
CID 2779810
N-(thiophen-2-ylmethyl)formamide
CID 21017864
2-{[(5-Bromothiophen-2-yl)methyl]amino}ethan-1-ol
CID 28833056
2-Bromo-5-(isocyanatomethyl)thiophene
CID 64305507
N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide hydrochloride
CID 91663076
N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide
CID 28710264
N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 59781614
(5-Bromo-3-fluorothiophen-2-yl)methylcarbamic acid
CID 130344894
N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide
CID 174738943
N-[(4-bromothiophen-2-yl)methyl]acetamide
CID 24974631

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]formamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]formamide (CID 64992685) is N-[(5-bromothiophen-2-yl)methyl]formamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]formamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]formamide is O=CNCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]formamide?
The InChIKey is GEXAJEVPHGXZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNOS/c7-6-2-1-5(10-6)3-8-4-9/h1-2,4H,3H2,(H,8,9).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]formamide?
N-[(5-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-[(5-bromothiophen-2-yl)methyl]formamide is sourced from PubChem (CID 64992685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).