2-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine

C9H10BrN3O2S — CID 43249613

IUPAC2-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine
SMILESNCCSCc1nnc(-c2ccc(Br)o2)o1
InChIInChI=1S/C9H10BrN3O2S/c10-7-2-1-6(14-7)9-13-12-8(15-9)5-16-4-3-11/h1-2H,3-5,11H2
InChIKeyKLQDRCKGLNMBIE-UHFFFAOYSA-N
MW304.17 g/mol
LogP2.28
Rot. Bonds5

About 2-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine

2-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine (PubChem CID 43249613) has the molecular formula C9H10BrN3O2S and a molecular weight of 304.17 g/mol. Its IUPAC name is 2-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine.

Molecular Properties

Compound Name2-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine
PubChem CID43249613
Molecular FormulaC9H10BrN3O2S
Molecular Weight304.17 g/mol
Exact Mass302.97
IUPAC Name2-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine
SMILESNCCSCc1nnc(-c2ccc(Br)o2)o1
InChIInChI=1S/C9H10BrN3O2S/c10-7-2-1-6(14-7)9-13-12-8(15-9)5-16-4-3-11/h1-2H,3-5,11H2
InChIKeyKLQDRCKGLNMBIE-UHFFFAOYSA-N
XLogP2.28
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[5-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630710
2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine
CID 43249576
(2R)-2-amino-3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid
CID 61142097
3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]butan-1-ol
CID 66138602
3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propan-1-amine
CID 66218819
2-(5-bromofuran-2-yl)-5-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 29324730
2-(5-bromofuran-2-yl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 112781180
3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propan-1-amine
CID 66217802
4-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929249
N'-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]-4-chlorobenzenecarboximidamide
CID 43013401
4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]-N-methylaniline
CID 61026556
1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-propyltriazol-4-amine
CID 79536857

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine?
The IUPAC name of 2-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine (CID 43249613) is 2-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine.
What is the SMILES notation for 2-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine?
The canonical SMILES for 2-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine is NCCSCc1nnc(-c2ccc(Br)o2)o1.
What is the InChIKey of 2-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine?
The InChIKey is KLQDRCKGLNMBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2S/c10-7-2-1-6(14-7)9-13-12-8(15-9)5-16-4-3-11/h1-2H,3-5,11H2.
What are the key properties of 2-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine?
2-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine has a molecular weight of 304.17 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine is sourced from PubChem (CID 43249613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).