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

C10H8BrN5O3S — CID 102630710

IUPAC[5-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(SCc2nnc(-c3ccc(Br)o3)o2)o1
InChIInChI=1S/C10H8BrN5O3S/c11-6-2-1-5(17-6)9-15-14-8(18-9)4-20-10-16-13-7(3-12)19-10/h1-2H,3-4,12H2
InChIKeyVLROITYWBIDOGH-UHFFFAOYSA-N
MW358.18 g/mol
LogP2.23
Rot. Bonds5

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

[5-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 102630710) has the molecular formula C10H8BrN5O3S and a molecular weight of 358.18 g/mol. Its IUPAC name is [5-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID102630710
Molecular FormulaC10H8BrN5O3S
Molecular Weight358.18 g/mol
Exact Mass356.95
IUPAC Name[5-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(SCc2nnc(-c3ccc(Br)o3)o2)o1
InChIInChI=1S/C10H8BrN5O3S/c11-6-2-1-5(17-6)9-15-14-8(18-9)4-20-10-16-13-7(3-12)19-10/h1-2H,3-4,12H2
InChIKeyVLROITYWBIDOGH-UHFFFAOYSA-N
XLogP2.23
TPSA117.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine
CID 43249613
2-(5-bromofuran-2-yl)-5-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 29324730
[5-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102629754
(2R)-2-amino-3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid
CID 61142097
2-(5-bromofuran-2-yl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 112781180
3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]butan-1-ol
CID 66138602
[5-(1,2,4-oxadiazol-5-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630195
2-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 7940489
1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 27059231
2-(5-bromofuran-2-yl)-5-[[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 30037136
2-(5-bromofuran-2-yl)-5-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 112779990
2-(2-bromophenyl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 29183417

Frequently Asked Questions

What is the IUPAC name of [5-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine (CID 102630710) is [5-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine is NCc1nnc(SCc2nnc(-c3ccc(Br)o3)o2)o1.
What is the InChIKey of [5-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is VLROITYWBIDOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN5O3S/c11-6-2-1-5(17-6)9-15-14-8(18-9)4-20-10-16-13-7(3-12)19-10/h1-2H,3-4,12H2.
What are the key properties of [5-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
[5-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 358.18 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 102630710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).