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

C9H10BrN3OS2 — CID 43249576

IUPAC2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine
SMILESNCCSCc1nnc(-c2ccc(Br)s2)o1
InChIInChI=1S/C9H10BrN3OS2/c10-7-2-1-6(16-7)9-13-12-8(14-9)5-15-4-3-11/h1-2H,3-5,11H2
InChIKeyFVDVODLFWJZMFL-UHFFFAOYSA-N
MW320.24 g/mol
LogP2.75
Rot. Bonds5

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

2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine (PubChem CID 43249576) has the molecular formula C9H10BrN3OS2 and a molecular weight of 320.24 g/mol. Its IUPAC name is 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine.

Molecular Properties

Compound Name2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine
PubChem CID43249576
Molecular FormulaC9H10BrN3OS2
Molecular Weight320.24 g/mol
Exact Mass318.94
IUPAC Name2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine
SMILESNCCSCc1nnc(-c2ccc(Br)s2)o1
InChIInChI=1S/C9H10BrN3OS2/c10-7-2-1-6(16-7)9-13-12-8(14-9)5-15-4-3-11/h1-2H,3-5,11H2
InChIKeyFVDVODLFWJZMFL-UHFFFAOYSA-N
XLogP2.75
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.24
LogP ≤ 52.75
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

3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propan-1-amine
CID 66218819
3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropan-1-amine
CID 66225672
2-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine
CID 43249613
2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-4-chloroaniline
CID 79525430
[4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanamine
CID 106484810
4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-chloroaniline
CID 79131277
2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole
CID 25331057
N-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 60685576
3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propan-1-amine
CID 66217802
4-O-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl] 1-O-ethyl (E)-but-2-enedioate
CID 9015521
3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanoic acid
CID 60988081
[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-ethoxybenzoate
CID 9197367

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine?
The IUPAC name of 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine (CID 43249576) is 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine.
What is the SMILES notation for 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine?
The canonical SMILES for 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine is NCCSCc1nnc(-c2ccc(Br)s2)o1.
What is the InChIKey of 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine?
The InChIKey is FVDVODLFWJZMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3OS2/c10-7-2-1-6(16-7)9-13-12-8(14-9)5-15-4-3-11/h1-2H,3-5,11H2.
What are the key properties of 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine?
2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine has a molecular weight of 320.24 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine is sourced from PubChem (CID 43249576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).