N-[(4-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine

C9H11BrN2S — CID 79503527

IUPACN-[(4-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESBrc1csc(CNC2=NCCC2)c1
InChIInChI=1S/C9H11BrN2S/c10-7-4-8(13-6-7)5-12-9-2-1-3-11-9/h4,6H,1-3,5H2,(H,11,12)
InChIKeyQHJFPXAIEOMMCH-UHFFFAOYSA-N
MW259.17 g/mol
LogP2.79
Rot. Bonds2

About N-[(4-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine

N-[(4-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 79503527) has the molecular formula C9H11BrN2S and a molecular weight of 259.17 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID79503527
Molecular FormulaC9H11BrN2S
Molecular Weight259.17 g/mol
Exact Mass257.98
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESBrc1csc(CNC2=NCCC2)c1
InChIInChI=1S/C9H11BrN2S/c10-7-4-8(13-6-7)5-12-9-2-1-3-11-9/h4,6H,1-3,5H2,(H,11,12)
InChIKeyQHJFPXAIEOMMCH-UHFFFAOYSA-N
XLogP2.79
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.17
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 65168951
2-[(4-bromothiophen-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424738
N-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361676
N-[(4-bromothiophen-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696389
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2,6-dichloroaniline
CID 28992923
3-amino-5-[(4-bromothiophen-2-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103378658
N-[(4-bromothiophen-2-yl)methyl]-4,6-dimethoxypyrimidin-2-amine
CID 113292960
2-[(4-bromothiophen-2-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570644
N-[(4-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297295
N-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine
CID 115777283
3-N-[(4-bromothiophen-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 66277551
N-[(4-bromothiophen-2-yl)methyl]-4,6-dimethylpyridin-2-amine
CID 115750528

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine (CID 79503527) is N-[(4-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine is Brc1csc(CNC2=NCCC2)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is QHJFPXAIEOMMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2S/c10-7-4-8(13-6-7)5-12-9-2-1-3-11-9/h4,6H,1-3,5H2,(H,11,12).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[(4-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 259.17 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 79503527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).