5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine

C8H9BrN4OS — CID 106962364

IUPAC5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESNCc1nnc(NCc2cc(Br)cs2)o1
InChIInChI=1S/C8H9BrN4OS/c9-5-1-6(15-4-5)3-11-8-13-12-7(2-10)14-8/h1,4H,2-3,10H2,(H,11,13)
InChIKeyLZTKFCWTXRUXHP-UHFFFAOYSA-N
MW289.16 g/mol
LogP1.96
Rot. Bonds4

About 5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine

5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106962364) has the molecular formula C8H9BrN4OS and a molecular weight of 289.16 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106962364
Molecular FormulaC8H9BrN4OS
Molecular Weight289.16 g/mol
Exact Mass287.97
IUPAC Name5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESNCc1nnc(NCc2cc(Br)cs2)o1
InChIInChI=1S/C8H9BrN4OS/c9-5-1-6(15-4-5)3-11-8-13-12-7(2-10)14-8/h1,4H,2-3,10H2,(H,11,13)
InChIKeyLZTKFCWTXRUXHP-UHFFFAOYSA-N
XLogP1.96
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-5-(chloromethyl)-1,3,4-oxadiazol-2-amine
CID 106957989
N-[(4-bromothiophen-2-yl)methyl]-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106957991
N-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine
CID 115777283
N-[(4-bromothiophen-2-yl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362665
5-(aminomethyl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106968329
6-[(4-bromothiophen-2-yl)methylamino]pyridine-2-carbothioamide
CID 64595488
N-[(2-bromothiophen-3-yl)methyl]-5-(chloromethyl)-1,3,4-oxadiazol-2-amine
CID 131165776
3-N-[(4-bromothiophen-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 66277551
N-[(4-bromothiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 115912801
5-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960958
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2,6-dichloroaniline
CID 28992923
N-[(4-bromothiophen-2-yl)methyl]-4,6-dimethoxypyrimidin-2-amine
CID 113292960

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 106962364) is 5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine is NCc1nnc(NCc2cc(Br)cs2)o1.
What is the InChIKey of 5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is LZTKFCWTXRUXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4OS/c9-5-1-6(15-4-5)3-11-8-13-12-7(2-10)14-8/h1,4H,2-3,10H2,(H,11,13).
What are the key properties of 5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 289.16 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106962364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).