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

C6H10FN3OS — CID 102629846

IUPAC[5-(3-fluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(SCCCF)o1
InChIInChI=1S/C6H10FN3OS/c7-2-1-3-12-6-10-9-5(4-8)11-6/h1-4,8H2
InChIKeyMNLPLMHZLAIOOG-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.98
Rot. Bonds5

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

[5-(3-fluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 102629846) has the molecular formula C6H10FN3OS and a molecular weight of 191.23 g/mol. Its IUPAC name is [5-(3-fluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-fluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID102629846
Molecular FormulaC6H10FN3OS
Molecular Weight191.23 g/mol
Exact Mass191.05
IUPAC Name[5-(3-fluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(SCCCF)o1
InChIInChI=1S/C6H10FN3OS/c7-2-1-3-12-6-10-9-5(4-8)11-6/h1-4,8H2
InChIKeyMNLPLMHZLAIOOG-UHFFFAOYSA-N
XLogP0.98
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(3-fluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(3-fluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 102629846) is [5-(3-fluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(3-fluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(3-fluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine is NCc1nnc(SCCCF)o1.
What is the InChIKey of [5-(3-fluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is MNLPLMHZLAIOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3OS/c7-2-1-3-12-6-10-9-5(4-8)11-6/h1-4,8H2.
What are the key properties of [5-(3-fluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(3-fluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 191.23 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-fluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 102629846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).